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

C10H15Cl2NO — CID 75480876

IUPAC1-amino-2-(4-chlorophenyl)butan-2-ol;hydrochloride
SMILESCCC(O)(CN)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C10H14ClNO.ClH/c1-2-10(13,7-12)8-3-5-9(11)6-4-8;/h3-6,13H,2,7,12H2,1H3;1H
InChIKeyNUXNXKZQAHQOMH-UHFFFAOYSA-N
MW236.14 g/mol
LogP2.32
Rot. Bonds3

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

1-amino-2-(4-chlorophenyl)butan-2-ol;hydrochloride (PubChem CID 75480876) has the molecular formula C10H15Cl2NO and a molecular weight of 236.14 g/mol. Its IUPAC name is 1-amino-2-(4-chlorophenyl)butan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-amino-2-(4-chlorophenyl)butan-2-ol;hydrochloride
PubChem CID75480876
Molecular FormulaC10H15Cl2NO
Molecular Weight236.14 g/mol
Exact Mass235.05
IUPAC Name1-amino-2-(4-chlorophenyl)butan-2-ol;hydrochloride
SMILESCCC(O)(CN)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C10H14ClNO.ClH/c1-2-10(13,7-12)8-3-5-9(11)6-4-8;/h3-6,13H,2,7,12H2,1H3;1H
InChIKeyNUXNXKZQAHQOMH-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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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(4-chlorophenyl)butan-2-ol;hydrochloride?
The IUPAC name of 1-amino-2-(4-chlorophenyl)butan-2-ol;hydrochloride (CID 75480876) is 1-amino-2-(4-chlorophenyl)butan-2-ol;hydrochloride.
What is the SMILES notation for 1-amino-2-(4-chlorophenyl)butan-2-ol;hydrochloride?
The canonical SMILES for 1-amino-2-(4-chlorophenyl)butan-2-ol;hydrochloride is CCC(O)(CN)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-amino-2-(4-chlorophenyl)butan-2-ol;hydrochloride?
The InChIKey is NUXNXKZQAHQOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO.ClH/c1-2-10(13,7-12)8-3-5-9(11)6-4-8;/h3-6,13H,2,7,12H2,1H3;1H.
What are the key properties of 1-amino-2-(4-chlorophenyl)butan-2-ol;hydrochloride?
1-amino-2-(4-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 1-amino-2-(4-chlorophenyl)butan-2-ol;hydrochloride is sourced from PubChem (CID 75480876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).