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

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

CAS: 1040689-12-0

Formula: C18H22ClNO

SMILES: CC(C)CCOC1=CC=C(NCC2=CC(Cl)=CC=C2)C=C1

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

InChI: InChI=1S/C18H22ClNO/c1-14(2)10-11-21-18-8-6-17(7-9-18)20-13-15-4-3-5-16(19)12-15/h3-9,12,14,20H,10-11,13H2,1-2H3

Composition: C (71.16%), H (7.30%), Cl (11.67%), N (4.61%), O (5.27%)

Molar Mass: 303.83

Atom Count: 43

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	303.138992
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PQFLDHFZRDKBEU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	90.55
Topological Polar Surface Area	21.26
Polarizability	34.65
Ring Count	2
Rotatable Bond Count	7

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