5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one

C12H16ClNO2 — CID 116940666

IUPAC5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one
SMILESCOc1ccc(C(N)CCC(C)=O)cc1Cl
InChIInChI=1S/C12H16ClNO2/c1-8(15)3-5-11(14)9-4-6-12(16-2)10(13)7-9/h4,6-7,11H,3,5,14H2,1-2H3
InChIKeyAUTUXNZGKRBTAN-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.72
Rot. Bonds5

About 5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one

5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one (PubChem CID 116940666) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one.

Molecular Properties

Compound Name5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one
PubChem CID116940666
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one
SMILESCOc1ccc(C(N)CCC(C)=O)cc1Cl
InChIInChI=1S/C12H16ClNO2/c1-8(15)3-5-11(14)9-4-6-12(16-2)10(13)7-9/h4,6-7,11H,3,5,14H2,1-2H3
InChIKeyAUTUXNZGKRBTAN-UHFFFAOYSA-N
XLogP2.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one
CID 116940680
5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide
CID 54927664
methyl 6-amino-6-(3-chloro-4-methoxyphenyl)hexanoate
CID 60860664
ethyl 5-amino-5-(3-chloro-4-methoxyphenyl)pentanoate
CID 54927618
3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid
CID 6484258
1-(3-chloro-4-methoxyphenyl)pentan-1-amine
CID 43130948
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide
CID 116848735
3-amino-3-(3-chloro-4-methoxyphenyl)-N,N-dimethylpropanamide
CID 116850280
4-amino-4-(3,4-dimethoxyphenyl)butanamide
CID 60862827
methyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate
CID 7278759
methyl 5-amino-5-(3-chloro-4-methoxyphenyl)-3-methylpentanoate
CID 62941825

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one?
The IUPAC name of 5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one (CID 116940666) is 5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one.
What is the SMILES notation for 5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one?
The canonical SMILES for 5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one is COc1ccc(C(N)CCC(C)=O)cc1Cl.
What is the InChIKey of 5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one?
The InChIKey is AUTUXNZGKRBTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8(15)3-5-11(14)9-4-6-12(16-2)10(13)7-9/h4,6-7,11H,3,5,14H2,1-2H3.
What are the key properties of 5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one?
5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one has a molecular weight of 241.72 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one is sourced from PubChem (CID 116940666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).