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

C10H13Cl2NO — CID 2831613

IUPAC2-amino-1-(4-chlorophenyl)butan-1-one;hydrochloride
SMILESCCC(N)C(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C10H12ClNO.ClH/c1-2-9(12)10(13)7-3-5-8(11)6-4-7;/h3-6,9H,2,12H2,1H3;1H
InChIKeyDGILLDWLPZZIGH-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.68
Rot. Bonds3

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

2-amino-1-(4-chlorophenyl)butan-1-one;hydrochloride (PubChem CID 2831613) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 2-amino-1-(4-chlorophenyl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-chlorophenyl)butan-1-one;hydrochloride
PubChem CID2831613
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name2-amino-1-(4-chlorophenyl)butan-1-one;hydrochloride
SMILESCCC(N)C(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C10H12ClNO.ClH/c1-2-9(12)10(13)7-3-5-8(11)6-4-7;/h3-6,9H,2,12H2,1H3;1H
InChIKeyDGILLDWLPZZIGH-UHFFFAOYSA-N
XLogP2.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chlorophenyl)butan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(4-chlorophenyl)butan-1-one;hydrochloride (CID 2831613) is 2-amino-1-(4-chlorophenyl)butan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-chlorophenyl)butan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(4-chlorophenyl)butan-1-one;hydrochloride is CCC(N)C(=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-amino-1-(4-chlorophenyl)butan-1-one;hydrochloride?
The InChIKey is DGILLDWLPZZIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO.ClH/c1-2-9(12)10(13)7-3-5-8(11)6-4-7;/h3-6,9H,2,12H2,1H3;1H.
What are the key properties of 2-amino-1-(4-chlorophenyl)butan-1-one;hydrochloride?
2-amino-1-(4-chlorophenyl)butan-1-one;hydrochloride has a molecular weight of 234.13 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-chlorophenyl)butan-1-one;hydrochloride is sourced from PubChem (CID 2831613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).