4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one

C11H14ClNO — CID 116594848

IUPAC4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one
SMILESCC(CCN)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO/c1-8(6-7-13)11(14)9-2-4-10(12)5-3-9/h2-5,8H,6-7,13H2,1H3
InChIKeyBIFOPTMXIWOMSU-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.51
Rot. Bonds4

About 4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one

4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one (PubChem CID 116594848) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one
PubChem CID116594848
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one
SMILESCC(CCN)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO/c1-8(6-7-13)11(14)9-2-4-10(12)5-3-9/h2-5,8H,6-7,13H2,1H3
InChIKeyBIFOPTMXIWOMSU-UHFFFAOYSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(4-chlorophenyl)-2-methylpropan-1-one
CID 86090557
4-(4-chlorophenyl)-3-methyl-4-oxobutanoic acid
CID 2874620
4-amino-2-methyl-1-pyridin-4-ylbutan-1-one
CID 116916055
5-amino-1-(4-chlorophenyl)-3-methylpentan-2-one
CID 116594757
4-amino-1-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-one
CID 116594998
methyl 4-(4-chlorophenyl)-3-methyl-4-oxobutanoate
CID 11470505
1-(4-chlorophenyl)-3-cyclopropyl-2-methylpropan-1-one
CID 158974687
1-(4-chlorophenyl)-2-methylbutane-1,3-dione
CID 83533665
2-amino-1-(4-chlorophenyl)butan-1-one
CID 2831614
(2S)-2-amino-1-(4-chlorophenyl)butan-1-one
CID 779152
benzyl (3S)-4-(4-chlorophenyl)-3-methyl-4-oxobutanoate
CID 58237519
1-(4-chlorophenyl)-2-hydroxypentan-1-one
CID 103453897

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one?
The IUPAC name of 4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one (CID 116594848) is 4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one.
What is the SMILES notation for 4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one?
The canonical SMILES for 4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one is CC(CCN)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one?
The InChIKey is BIFOPTMXIWOMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8(6-7-13)11(14)9-2-4-10(12)5-3-9/h2-5,8H,6-7,13H2,1H3.
What are the key properties of 4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one?
4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one has a molecular weight of 211.69 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one is sourced from PubChem (CID 116594848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).