3-methyl-4-{2-[methyl(phenyl)amino]ethoxy}aniline dihydrochloride

3-methyl-4-{2-[methyl(phenyl)amino]ethoxy}aniline dihydrochloride

CAS: 1185295-79-7

Formula: C16H22Cl2N2O

SMILES: Cl.Cl.CN(CCOC1=C(C)C=C(N)C=C1)C1=CC=CC=C1

IUPAC: 3-methyl-4-{2-[methyl(phenyl)amino]ethoxy}aniline dihydrochloride

InChI: InChI=1S/C16H20N2O.2ClH/c1-13-12-14(17)8-9-16(13)19-11-10-18(2)15-6-4-3-5-7-15;;/h3-9,12H,10-11,17H2,1-2H3;2*1H

Composition: C (58.37%), H (6.74%), Cl (21.53%), N (8.51%), O (4.86%)

Molar Mass: 329.27

Atom Count: 43

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	328.1109187
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BCSFNZLCDKULJS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.78
Topological Polar Surface Area	38.49
Polarizability	30.19
Ring Count	2
Rotatable Bond Count	5

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