4-(benzyloxy)-N-{[3-(3-methylbutoxy)phenyl]methyl}aniline

4-(benzyloxy)-N-{[3-(3-methylbutoxy)phenyl]methyl}aniline

CAS: 1040688-53-6

Formula: C25H29NO2

SMILES: CC(C)CCOC1=CC(CNC2=CC=C(OCC3=CC=CC=C3)C=C2)=CC=C1

IUPAC: 4-(benzyloxy)-N-{[3-(3-methylbutoxy)phenyl]methyl}aniline

InChI: InChI=1S/C25H29NO2/c1-20(2)15-16-27-25-10-6-9-22(17-25)18-26-23-11-13-24(14-12-23)28-19-21-7-4-3-5-8-21/h3-14,17,20,26H,15-16,18-19H2,1-2H3

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	0
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	BCYHEAPXGJAOIL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	116.83
Topological Polar Surface Area	30.49
Polarizability	44.95
Ring Count	3
Rotatable Bond Count	10

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