4-amino-1-(4-chlorophenyl)pentan-1-one

C11H14ClNO — CID 116571618

IUPAC4-amino-1-(4-chlorophenyl)pentan-1-one
SMILESCC(N)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO/c1-8(13)2-7-11(14)9-3-5-10(12)6-4-9/h3-6,8H,2,7,13H2,1H3
InChIKeyVAOXDZLKURZYHR-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.65
Rot. Bonds4

About 4-amino-1-(4-chlorophenyl)pentan-1-one

4-amino-1-(4-chlorophenyl)pentan-1-one (PubChem CID 116571618) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 4-amino-1-(4-chlorophenyl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(4-chlorophenyl)pentan-1-one
PubChem CID116571618
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name4-amino-1-(4-chlorophenyl)pentan-1-one
SMILESCC(N)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO/c1-8(13)2-7-11(14)9-3-5-10(12)6-4-9/h3-6,8H,2,7,13H2,1H3
InChIKeyVAOXDZLKURZYHR-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(4-hydroxyphenyl)pentan-1-one
CID 155205061
4-amino-1-(2,5-dichlorophenyl)pentan-1-one
CID 116571674
4-amino-1-(4-ethoxyphenyl)pentan-1-one
CID 116571550
4-amino-1-(3-fluoro-4-methylphenyl)pentan-1-one
CID 107129738
4-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-1-one
CID 107290977
5-amino-1-(2,4-dichlorophenyl)hexan-2-one
CID 116571543
1-(4-chlorophenyl)-8-hydroxy-4,8-dimethylnonan-1-one
CID 146249327
4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559125
1-(4-chlorophenyl)-3-ethoxypropan-1-one
CID 115601476
6-amino-4-ethyl-1-(4-propan-2-ylphenyl)hexan-1-one
CID 116578308
4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one
CID 116571571
4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one
CID 43625084

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-chlorophenyl)pentan-1-one?
The IUPAC name of 4-amino-1-(4-chlorophenyl)pentan-1-one (CID 116571618) is 4-amino-1-(4-chlorophenyl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(4-chlorophenyl)pentan-1-one?
The canonical SMILES for 4-amino-1-(4-chlorophenyl)pentan-1-one is CC(N)CCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-amino-1-(4-chlorophenyl)pentan-1-one?
The InChIKey is VAOXDZLKURZYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8(13)2-7-11(14)9-3-5-10(12)6-4-9/h3-6,8H,2,7,13H2,1H3.
What are the key properties of 4-amino-1-(4-chlorophenyl)pentan-1-one?
4-amino-1-(4-chlorophenyl)pentan-1-one has a molecular weight of 211.69 g/mol, XLogP of 2.65, 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)pentan-1-one is sourced from PubChem (CID 116571618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).