N-{[2-(hexyloxy)phenyl]methyl}-2-(3-phenylpropoxy)aniline

N-{[2-(hexyloxy)phenyl]methyl}-2-(3-phenylpropoxy)aniline

CAS: 1040688-04-7

Formula: C28H35NO2

SMILES: CCCCCCOC1=C(CNC2=C(OCCCC3=CC=CC=C3)C=CC=C2)C=CC=C1

IUPAC: N-{[2-(hexyloxy)phenyl]methyl}-2-(3-phenylpropoxy)aniline

InChI: InChI=1S/C28H35NO2/c1-2-3-4-12-21-30-27-19-10-8-17-25(27)23-29-26-18-9-11-20-28(26)31-22-13-16-24-14-6-5-7-15-24/h5-11,14-15,17-20,29H,2-4,12-13,16,21-23H2,1H3

Composition: C (80.53%), H (8.45%), N (3.35%), O (7.66%)

Molar Mass: 417.593

Atom Count: 66

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	417.266779371
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RJLMLIKHWQQOLG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	130.83
Topological Polar Surface Area	30.49
Polarizability	50.42
Ring Count	3
Rotatable Bond Count	14

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