3-amino-1-(3-chlorophenyl)-4-methylpentan-2-one

C12H16ClNO — CID 116548985

IUPAC3-amino-1-(3-chlorophenyl)-4-methylpentan-2-one
SMILESCC(C)C(N)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-8(2)12(14)11(15)7-9-4-3-5-10(13)6-9/h3-6,8,12H,7,14H2,1-2H3
InChIKeyOZAVICCGONEZEJ-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.43
Rot. Bonds4

About 3-amino-1-(3-chlorophenyl)-4-methylpentan-2-one

3-amino-1-(3-chlorophenyl)-4-methylpentan-2-one (PubChem CID 116548985) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-amino-1-(3-chlorophenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name3-amino-1-(3-chlorophenyl)-4-methylpentan-2-one
PubChem CID116548985
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-amino-1-(3-chlorophenyl)-4-methylpentan-2-one
SMILESCC(C)C(N)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-8(2)12(14)11(15)7-9-4-3-5-10(13)6-9/h3-6,8,12H,7,14H2,1-2H3
InChIKeyOZAVICCGONEZEJ-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-chlorophenyl)-4-methylhexan-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chlorophenyl)-4-methylpentan-2-one?
The IUPAC name of 3-amino-1-(3-chlorophenyl)-4-methylpentan-2-one (CID 116548985) is 3-amino-1-(3-chlorophenyl)-4-methylpentan-2-one.
What is the SMILES notation for 3-amino-1-(3-chlorophenyl)-4-methylpentan-2-one?
The canonical SMILES for 3-amino-1-(3-chlorophenyl)-4-methylpentan-2-one is CC(C)C(N)C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 3-amino-1-(3-chlorophenyl)-4-methylpentan-2-one?
The InChIKey is OZAVICCGONEZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8(2)12(14)11(15)7-9-4-3-5-10(13)6-9/h3-6,8,12H,7,14H2,1-2H3.
What are the key properties of 3-amino-1-(3-chlorophenyl)-4-methylpentan-2-one?
3-amino-1-(3-chlorophenyl)-4-methylpentan-2-one has a molecular weight of 225.72 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-chlorophenyl)-4-methylpentan-2-one is sourced from PubChem (CID 116548985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).