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

C16H19Cl2NO — CID 12549129

IUPAC1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride
SMILESCNCC(O)C(c1ccccc1)c1ccccc1Cl.Cl
InChIInChI=1S/C16H18ClNO.ClH/c1-18-11-15(19)16(12-7-3-2-4-8-12)13-9-5-6-10-14(13)17;/h2-10,15-16,18-19H,11H2,1H3;1H
InChIKeyUIWXUAWVFDJGOI-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.47
Rot. Bonds5

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

1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride (PubChem CID 12549129) has the molecular formula C16H19Cl2NO and a molecular weight of 312.24 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride
PubChem CID12549129
Molecular FormulaC16H19Cl2NO
Molecular Weight312.24 g/mol
Exact Mass311.08
IUPAC Name1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride
SMILESCNCC(O)C(c1ccccc1)c1ccccc1Cl.Cl
InChIInChI=1S/C16H18ClNO.ClH/c1-18-11-15(19)16(12-7-3-2-4-8-12)13-9-5-6-10-14(13)17;/h2-10,15-16,18-19H,11H2,1H3;1H
InChIKeyUIWXUAWVFDJGOI-UHFFFAOYSA-N
XLogP3.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride (CID 12549129) is 1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride is CNCC(O)C(c1ccccc1)c1ccccc1Cl.Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride?
The InChIKey is UIWXUAWVFDJGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO.ClH/c1-18-11-15(19)16(12-7-3-2-4-8-12)13-9-5-6-10-14(13)17;/h2-10,15-16,18-19H,11H2,1H3;1H.
What are the key properties of 1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride?
1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride has a molecular weight of 312.24 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 12549129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).