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

C17H21Cl2NO — CID 73415977

IUPAC(1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
SMILESCN(C)CC[C@@](O)(c1ccccc1)c1ccccc1Cl.Cl
InChIInChI=1S/C17H20ClNO.ClH/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18;/h3-11,20H,12-13H2,1-2H3;1H/t17-;/m1./s1
InChIKeyXYGSFNHCFFAJPO-UNTBIKODSA-N
MW326.27 g/mol
LogP3.95
Rot. Bonds5

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

(1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride (PubChem CID 73415977) has the molecular formula C17H21Cl2NO and a molecular weight of 326.27 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
PubChem CID73415977
Molecular FormulaC17H21Cl2NO
Molecular Weight326.27 g/mol
Exact Mass325.10
IUPAC Name(1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
SMILESCN(C)CC[C@@](O)(c1ccccc1)c1ccccc1Cl.Cl
InChIInChI=1S/C17H20ClNO.ClH/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18;/h3-11,20H,12-13H2,1-2H3;1H/t17-;/m1./s1
InChIKeyXYGSFNHCFFAJPO-UNTBIKODSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-chlorophenyl)-4-(dimethylamino)-1-phenylbutan-1-ol
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CID 150424149
3-[methyl-[2-(methylamino)ethyl]amino]-1,1-diphenylpropan-1-ol;dihydrochloride
CID 70578560
1-(2-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
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2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-phenylbutanenitrile
CID 13316570
3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol
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1-(4-chloronaphthalen-1-yl)-4-(dimethylamino)-1-pyridin-4-ylbutan-1-ol
CID 547158
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CID 70515941

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride?
The IUPAC name of (1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride (CID 73415977) is (1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride is CN(C)CC[C@@](O)(c1ccccc1)c1ccccc1Cl.Cl.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is XYGSFNHCFFAJPO-UNTBIKODSA-N. The full InChI is InChI=1S/C17H20ClNO.ClH/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18;/h3-11,20H,12-13H2,1-2H3;1H/t17-;/m1./s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride?
(1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride has a molecular weight of 326.27 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 73415977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).