1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride

C9H13Cl2NO — CID 17039441

IUPAC1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride
SMILESCC(O)(CN)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C9H12ClNO.ClH/c1-9(12,6-11)7-2-4-8(10)5-3-7;/h2-5,12H,6,11H2,1H3;1H
InChIKeySKNMPROKNNTHQM-UHFFFAOYSA-N
MW222.12 g/mol
LogP1.93
Rot. Bonds2

About 1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride

1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride (PubChem CID 17039441) has the molecular formula C9H13Cl2NO and a molecular weight of 222.12 g/mol. Its IUPAC name is 1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride
PubChem CID17039441
Molecular FormulaC9H13Cl2NO
Molecular Weight222.12 g/mol
Exact Mass221.04
IUPAC Name1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride
SMILESCC(O)(CN)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C9H12ClNO.ClH/c1-9(12,6-11)7-2-4-8(10)5-3-7;/h2-5,12H,6,11H2,1H3;1H
InChIKeySKNMPROKNNTHQM-UHFFFAOYSA-N
XLogP1.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-amino-2-[4-(trifluoromethyl)phenyl]propan-2-ol
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1-amino-2-(4-bromophenyl)propan-2-ol
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CID 82090050
2-(4-chlorophenyl)-1-cyclopentylpropan-2-ol
CID 65144991
3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 47002646
(1S)-1-(4-chlorophenyl)-1-fluoroethanol
CID 175477652
4-(4-chlorophenyl)-2,4-dimethylpentan-2-ol
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2-(4-chlorophenyl)hex-5-yn-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride?
The IUPAC name of 1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride (CID 17039441) is 1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride is CC(O)(CN)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride?
The InChIKey is SKNMPROKNNTHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO.ClH/c1-9(12,6-11)7-2-4-8(10)5-3-7;/h2-5,12H,6,11H2,1H3;1H.
What are the key properties of 1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride?
1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride has a molecular weight of 222.12 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 17039441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).