4-amino-2-(2-chlorophenyl)butan-2-ol;hydrochloride

C10H15Cl2NO — CID 140625468

IUPAC4-amino-2-(2-chlorophenyl)butan-2-ol;hydrochloride
SMILESCC(O)(CCN)c1ccccc1Cl.Cl
InChIInChI=1S/C10H14ClNO.ClH/c1-10(13,6-7-12)8-4-2-3-5-9(8)11;/h2-5,13H,6-7,12H2,1H3;1H
InChIKeyRYQNJTKBGIMXHG-UHFFFAOYSA-N
MW236.14 g/mol
LogP2.32
Rot. Bonds3

About 4-amino-2-(2-chlorophenyl)butan-2-ol;hydrochloride

4-amino-2-(2-chlorophenyl)butan-2-ol;hydrochloride (PubChem CID 140625468) has the molecular formula C10H15Cl2NO and a molecular weight of 236.14 g/mol. Its IUPAC name is 4-amino-2-(2-chlorophenyl)butan-2-ol;hydrochloride.

Molecular Properties

Compound Name4-amino-2-(2-chlorophenyl)butan-2-ol;hydrochloride
PubChem CID140625468
Molecular FormulaC10H15Cl2NO
Molecular Weight236.14 g/mol
Exact Mass235.05
IUPAC Name4-amino-2-(2-chlorophenyl)butan-2-ol;hydrochloride
SMILESCC(O)(CCN)c1ccccc1Cl.Cl
InChIInChI=1S/C10H14ClNO.ClH/c1-10(13,6-7-12)8-4-2-3-5-9(8)11;/h2-5,13H,6-7,12H2,1H3;1H
InChIKeyRYQNJTKBGIMXHG-UHFFFAOYSA-N
XLogP2.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-amino-2-(2-chlorophenyl)propan-1-ol
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(2S)-1-azido-2-(2-chlorophenyl)propan-2-ol
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1-(2-chlorophenyl)butane-1,1-diol
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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-chlorophenyl)butan-2-ol;hydrochloride?
The IUPAC name of 4-amino-2-(2-chlorophenyl)butan-2-ol;hydrochloride (CID 140625468) is 4-amino-2-(2-chlorophenyl)butan-2-ol;hydrochloride.
What is the SMILES notation for 4-amino-2-(2-chlorophenyl)butan-2-ol;hydrochloride?
The canonical SMILES for 4-amino-2-(2-chlorophenyl)butan-2-ol;hydrochloride is CC(O)(CCN)c1ccccc1Cl.Cl.
What is the InChIKey of 4-amino-2-(2-chlorophenyl)butan-2-ol;hydrochloride?
The InChIKey is RYQNJTKBGIMXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO.ClH/c1-10(13,6-7-12)8-4-2-3-5-9(8)11;/h2-5,13H,6-7,12H2,1H3;1H.
What are the key properties of 4-amino-2-(2-chlorophenyl)butan-2-ol;hydrochloride?
4-amino-2-(2-chlorophenyl)butan-2-ol;hydrochloride has a molecular weight of 236.14 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-chlorophenyl)butan-2-ol;hydrochloride is sourced from PubChem (CID 140625468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).