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N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline

N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline

CAS: 1040682-40-3

Formula: C25H29NO2

SMILES: CC(CNC1=CC(OCCC2=CC=CC=C2)=CC=C1)OC1=C(C)C=CC=C1C

IUPAC: N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline

InChI: InChI=1/C25H29NO2/c1-19-9-7-10-20(2)25(19)28-21(3)18-26-23-13-8-14-24(17-23)27-16-15-22-11-5-4-6-12-22/h4-14,17,21,26H,15-16,18H2,1-3H3

Composition: C (79.96%), H (7.78%), N (3.73%), O (8.52%)

Molar Mass: 375.512

Atom Count: 57

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 375.219829178
Formal Charge 0
FSP3 0.28
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XBKSFMGPNZLZIQ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 117.14
Topological Polar Surface Area 30.49
Polarizability 44.72
Ring Count 3
Rotatable Bond Count 9

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95% <2 Days 1040682-40-3 $212.83$212.83
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