2-amino-1-(2-chlorophenyl)-2-methylpentan-1-one

C12H16ClNO — CID 116556904

IUPAC2-amino-1-(2-chlorophenyl)-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)c1ccccc1Cl
InChIInChI=1S/C12H16ClNO/c1-3-8-12(2,14)11(15)9-6-4-5-7-10(9)13/h4-7H,3,8,14H2,1-2H3
InChIKeyUBFBRKLDXCDAFZ-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.04
Rot. Bonds4

About 2-amino-1-(2-chlorophenyl)-2-methylpentan-1-one

2-amino-1-(2-chlorophenyl)-2-methylpentan-1-one (PubChem CID 116556904) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-amino-1-(2-chlorophenyl)-2-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-chlorophenyl)-2-methylpentan-1-one
PubChem CID116556904
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-amino-1-(2-chlorophenyl)-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)c1ccccc1Cl
InChIInChI=1S/C12H16ClNO/c1-3-8-12(2,14)11(15)9-6-4-5-7-10(9)13/h4-7H,3,8,14H2,1-2H3
InChIKeyUBFBRKLDXCDAFZ-UHFFFAOYSA-N
XLogP3.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2-chlorophenyl)-2-methylpropan-1-one
CID 82282086
3-amino-1-(2-chlorophenyl)-3-methylhexan-2-one
CID 116557106
2-amino-2-methyl-1-(2-propan-2-yloxyphenyl)pentan-1-one
CID 116556941
2-amino-1-(5-chlorothiophen-2-yl)-2-methylpentan-1-one
CID 116556943
ethyl 3-(2-chlorophenyl)-2,2-dimethyl-3-oxopropanoate
CID 22664966
1-(2-chlorophenyl)-2-(ethylamino)-2-methylpropan-1-one
CID 97356118
2,2-dichloro-1-(2-chlorophenyl)-3,3-dimethylbutan-1-one
CID 19347636
1-(2-chlorophenyl)-2-methoxy-2-methylbutan-1-one
CID 116746687
2-amino-1-(2,5-dichlorophenyl)-2-methylbutan-1-one
CID 116590355
2-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61157007
1-(2-chlorophenyl)-2-(dimethylamino)-2-ethylbutan-1-one
CID 79062329
2,2,2-tribromoethyl 2-chlorobenzoate
CID 134101353

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-chlorophenyl)-2-methylpentan-1-one?
The IUPAC name of 2-amino-1-(2-chlorophenyl)-2-methylpentan-1-one (CID 116556904) is 2-amino-1-(2-chlorophenyl)-2-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(2-chlorophenyl)-2-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(2-chlorophenyl)-2-methylpentan-1-one is CCCC(C)(N)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-amino-1-(2-chlorophenyl)-2-methylpentan-1-one?
The InChIKey is UBFBRKLDXCDAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-3-8-12(2,14)11(15)9-6-4-5-7-10(9)13/h4-7H,3,8,14H2,1-2H3.
What are the key properties of 2-amino-1-(2-chlorophenyl)-2-methylpentan-1-one?
2-amino-1-(2-chlorophenyl)-2-methylpentan-1-one has a molecular weight of 225.72 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-chlorophenyl)-2-methylpentan-1-one is sourced from PubChem (CID 116556904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).