2-[2-(azepan-1-yl)ethoxy]-5-methylaniline dihydrochloride

2-[2-(azepan-1-yl)ethoxy]-5-methylaniline dihydrochloride

CAS: 1185294-21-6

Formula: C15H26Cl2N2O

SMILES: Cl.Cl.CC1=CC(N)=C(OCCN2CCCCCC2)C=C1

IUPAC: 2-[2-(azepan-1-yl)ethoxy]-5-methylaniline dihydrochloride

InChI: InChI=1S/C15H24N2O.2ClH/c1-13-6-7-15(14(16)12-13)18-11-10-17-8-4-2-3-5-9-17;;/h6-7,12H,2-5,8-11,16H2,1H3;2*1H

Composition: C (56.08%), H (8.16%), Cl (22.07%), N (8.72%), O (4.98%)

Molar Mass: 321.29

Atom Count: 46

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	320.1422189
Formal Charge	0
FSP3	0.6
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WAYLJJFTULIWCH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.02
Topological Polar Surface Area	38.49
Polarizability	29.45
Ring Count	2
Rotatable Bond Count	4

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