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3,5-dimethyl-N-{[3-(2-phenylethoxy)phenyl]methyl}aniline

3,5-dimethyl-N-{[3-(2-phenylethoxy)phenyl]methyl}aniline

CAS: 1040687-13-5

Formula: C23H25NO

SMILES: CC1=CC(NCC2=CC(OCCC3=CC=CC=C3)=CC=C2)=CC(C)=C1

IUPAC: 3,5-dimethyl-N-{[3-(2-phenylethoxy)phenyl]methyl}aniline

InChI: InChI=1S/C23H25NO/c1-18-13-19(2)15-22(14-18)24-17-21-9-6-10-23(16-21)25-12-11-20-7-4-3-5-8-20/h3-10,13-16,24H,11-12,17H2,1-2H3

Composition: C (83.34%), H (7.60%), N (4.23%), O (4.83%)

Molar Mass: 331.459

Atom Count: 50

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 331.193614429
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey PQGMAOBNZZNGPR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 106.78
Topological Polar Surface Area 21.26
Polarizability 40.39
Ring Count 3
Rotatable Bond Count 7

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