N-[(3,5-dichlorophenyl)methyl]-2-(oxolan-2-ylmethoxy)aniline

N-[(3,5-dichlorophenyl)methyl]-2-(oxolan-2-ylmethoxy)aniline

CAS: 1040683-97-3

Formula: C18H19Cl2NO2

SMILES: ClC1=CC(CNC2=C(OCC3CCCO3)C=CC=C2)=CC(Cl)=C1

IUPAC: N-[(3,5-dichlorophenyl)methyl]-2-[(oxolan-2-yl)methoxy]aniline

InChI: InChI=1/C18H19Cl2NO2/c19-14-8-13(9-15(20)10-14)11-21-17-5-1-2-6-18(17)23-12-16-4-3-7-22-16/h1-2,5-6,8-10,16,21H,3-4,7,11-12H2

Composition: C (61.38%), H (5.44%), Cl (20.13%), N (3.98%), O (9.08%)

Molar Mass: 352.26

Atom Count: 42

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	351.0792843
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KPNYBCFHPKZZKL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.19
Topological Polar Surface Area	30.49
Polarizability	36.49
Ring Count	3
Rotatable Bond Count	6

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