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

C17H20ClNO — CID 2795

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IUPAC1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol
SMILESCN(C)CCC(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
InChIKeyWRCHFMBCVFFYEQ-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.53
Rot. Bonds5

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

1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol (PubChem CID 2795) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol
PubChem CID2795
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol
SMILESCN(C)CCC(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
InChIKeyWRCHFMBCVFFYEQ-UHFFFAOYSA-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 1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol?
The IUPAC name of 1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol (CID 2795) is 1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol is CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol?
The InChIKey is WRCHFMBCVFFYEQ-UHFFFAOYSA-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.
What are the key properties of 1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol?
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 1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 2795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).