N-[(3-chlorophenyl)methyl]-4-(3-phenylpropoxy)aniline

N-[(3-chlorophenyl)methyl]-4-(3-phenylpropoxy)aniline

CAS: 1040686-81-4

Formula: C22H22ClNO

SMILES: ClC1=CC=CC(CNC2=CC=C(OCCCC3=CC=CC=C3)C=C2)=C1

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

InChI: InChI=1S/C22H22ClNO/c23-20-10-4-8-19(16-20)17-24-21-11-13-22(14-12-21)25-15-5-9-18-6-2-1-3-7-18/h1-4,6-8,10-14,16,24H,5,9,15,17H2

Composition: C (75.10%), H (6.30%), Cl (10.07%), N (3.98%), O (4.55%)

Molar Mass: 351.87

Atom Count: 47

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	351.138992
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ZYRNIZUUIVSTJU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	106.1
Topological Polar Surface Area	21.26
Polarizability	40.51
Ring Count	3
Rotatable Bond Count	8

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