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

C10H12ClNO — CID 59029546

IUPAC1-amino-4-(4-chlorophenyl)butan-2-one
SMILESNCC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO/c11-9-4-1-8(2-5-9)3-6-10(13)7-12/h1-2,4-5H,3,6-7,12H2
InChIKeyWWWRYZVVIIDCRQ-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.80
Rot. Bonds4

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

1-amino-4-(4-chlorophenyl)butan-2-one (PubChem CID 59029546) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 1-amino-4-(4-chlorophenyl)butan-2-one.

Molecular Properties

Compound Name1-amino-4-(4-chlorophenyl)butan-2-one
PubChem CID59029546
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name1-amino-4-(4-chlorophenyl)butan-2-one
SMILESNCC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO/c11-9-4-1-8(2-5-9)3-6-10(13)7-12/h1-2,4-5H,3,6-7,12H2
InChIKeyWWWRYZVVIIDCRQ-UHFFFAOYSA-N
XLogP1.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4-(4-propan-2-ylphenyl)butan-2-one
CID 95439232
3-(4-chlorophenyl)propanoic acid;guanidine
CID 69413371
1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one
CID 62503294
(2E)-4-(4-chlorophenyl)-2-(fluoromethylidene)butan-1-amine
CID 25014173
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
1-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-one
CID 24726092
acetyl 3-(4-chlorophenyl)propanoate
CID 174360219
methyl 4-(4-chlorophenyl)-2-oxobutanoate
CID 18370340
7-amino-1-(4-chlorophenyl)heptan-2-one
CID 116549885
2-(4-chlorophenyl)ethyl carbamate
CID 90103604
4-amino-1-(4-chlorophenyl)butane-1,3-dione
CID 70490011

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(4-chlorophenyl)butan-2-one?
The IUPAC name of 1-amino-4-(4-chlorophenyl)butan-2-one (CID 59029546) is 1-amino-4-(4-chlorophenyl)butan-2-one.
What is the SMILES notation for 1-amino-4-(4-chlorophenyl)butan-2-one?
The canonical SMILES for 1-amino-4-(4-chlorophenyl)butan-2-one is NCC(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of 1-amino-4-(4-chlorophenyl)butan-2-one?
The InChIKey is WWWRYZVVIIDCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-9-4-1-8(2-5-9)3-6-10(13)7-12/h1-2,4-5H,3,6-7,12H2.
What are the key properties of 1-amino-4-(4-chlorophenyl)butan-2-one?
1-amino-4-(4-chlorophenyl)butan-2-one has a molecular weight of 197.67 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(4-chlorophenyl)butan-2-one is sourced from PubChem (CID 59029546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).