1-(3-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride

C17H21Cl2NO — CID 20542460

IUPAC1-(3-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride
SMILESCN(C)CC(O)C(c1ccccc1)c1cccc(Cl)c1.Cl
InChIInChI=1S/C17H20ClNO.ClH/c1-19(2)12-16(20)17(13-7-4-3-5-8-13)14-9-6-10-15(18)11-14;/h3-11,16-17,20H,12H2,1-2H3;1H
InChIKeyPVONDWSPRZPGMZ-UHFFFAOYSA-N
MW326.27 g/mol
LogP3.82
Rot. Bonds5

About 1-(3-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride

1-(3-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride (PubChem CID 20542460) has the molecular formula C17H21Cl2NO and a molecular weight of 326.27 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride
PubChem CID20542460
Molecular FormulaC17H21Cl2NO
Molecular Weight326.27 g/mol
Exact Mass325.10
IUPAC Name1-(3-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride
SMILESCN(C)CC(O)C(c1ccccc1)c1cccc(Cl)c1.Cl
InChIInChI=1S/C17H20ClNO.ClH/c1-19(2)12-16(20)17(13-7-4-3-5-8-13)14-9-6-10-15(18)11-14;/h3-11,16-17,20H,12H2,1-2H3;1H
InChIKeyPVONDWSPRZPGMZ-UHFFFAOYSA-N
XLogP3.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol
CID 12549085
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CID 12549092
1-(3-chlorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093670
3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol
CID 12549089
(2R)-3-[3-hydroxypropyl(methyl)amino]-1,1-diphenylpropan-2-ol
CID 129396199
3-[benzyl(methyl)amino]-1,1-diphenylpropan-2-ol
CID 12549048
(3-chlorophenyl)-(3-phenylphenyl)methanol
CID 171366588
(3-chlorophenyl)-fluoromethanol
CID 70239224
(3-chlorophenyl)methanediol
CID 20679602
(3S,4S)-4-(3,4-dichlorophenyl)-4-phenylbutane-1,3-diol
CID 134968747
(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1,1-diphenylpropan-2-ol
CID 56927865

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride (CID 20542460) is 1-(3-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride is CN(C)CC(O)C(c1ccccc1)c1cccc(Cl)c1.Cl.
What is the InChIKey of 1-(3-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride?
The InChIKey is PVONDWSPRZPGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO.ClH/c1-19(2)12-16(20)17(13-7-4-3-5-8-13)14-9-6-10-15(18)11-14;/h3-11,16-17,20H,12H2,1-2H3;1H.
What are the key properties of 1-(3-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride?
1-(3-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride has a molecular weight of 326.27 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 20542460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).