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

C17H20ClNO — CID 688422

IUPAC(1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol
SMILESCN(C)CC[C@@](O)(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C17H20ClNO/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/t17-/m1/s1
InChIKeyWRCHFMBCVFFYEQ-QGZVFWFLSA-N
MW289.81 g/mol
LogP3.53
Rot. Bonds5

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

(1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol (PubChem CID 688422) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol
PubChem CID688422
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol
SMILESCN(C)CC[C@@](O)(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C17H20ClNO/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/t17-/m1/s1
InChIKeyWRCHFMBCVFFYEQ-QGZVFWFLSA-N
XLogP3.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol?
The IUPAC name of (1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol (CID 688422) is (1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol is CN(C)CC[C@@](O)(c1ccccc1)c1ccccc1Cl.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol?
The InChIKey is WRCHFMBCVFFYEQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20ClNO/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/t17-/m1/s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol?
(1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol has a molecular weight of 289.81 g/mol, XLogP of 3.53, 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 is sourced from PubChem (CID 688422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).