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N-[(4-tert-butylphenyl)methyl]-3-(3-phenylpropoxy)aniline

N-[(4-tert-butylphenyl)methyl]-3-(3-phenylpropoxy)aniline

CAS: 1040690-48-9

Formula: C26H31NO

SMILES: CC(C)(C)C1=CC=C(CNC2=CC(OCCCC3=CC=CC=C3)=CC=C2)C=C1

IUPAC: N-[(4-tert-butylphenyl)methyl]-3-(3-phenylpropoxy)aniline

InChI: InChI=1S/C26H31NO/c1-26(2,3)23-16-14-22(15-17-23)20-27-24-12-7-13-25(19-24)28-18-8-11-21-9-5-4-6-10-21/h4-7,9-10,12-17,19,27H,8,11,18,20H2,1-3H3

Composition: C (83.60%), H (8.37%), N (3.75%), O (4.28%)

Molar Mass: 373.54

Atom Count: 59

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 373.240564622
Formal Charge 0
FSP3 0.31
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey PIWKOXHJLAGKJP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 119.96
Topological Polar Surface Area 21.26
Polarizability 46.01
Ring Count 3
Rotatable Bond Count 9

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