N-[4-(2,4-dichlorophenoxy)butyl]-3-(2-phenylethoxy)aniline

N-[4-(2,4-dichlorophenoxy)butyl]-3-(2-phenylethoxy)aniline

CAS: 1040681-95-5

Formula: C24H25Cl2NO2

SMILES: ClC1=CC(Cl)=C(OCCCCNC2=CC(OCCC3=CC=CC=C3)=CC=C2)C=C1

IUPAC: N-[4-(2,4-dichlorophenoxy)butyl]-3-(2-phenylethoxy)aniline

InChI: InChI=1S/C24H25Cl2NO2/c25-20-11-12-24(23(26)17-20)29-15-5-4-14-27-21-9-6-10-22(18-21)28-16-13-19-7-2-1-3-8-19/h1-3,6-12,17-18,27H,4-5,13-16H2

Composition: C (66.98%), H (5.86%), Cl (16.47%), N (3.25%), O (7.44%)

Molar Mass: 430.37

Atom Count: 54

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	429.1262344
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WXNHLIUEGDHRLT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	121.75
Topological Polar Surface Area	30.49
Polarizability	46.73
Ring Count	3
Rotatable Bond Count	11

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