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

C12H16ClNO — CID 116609053

IUPAC4-amino-1-(3-chlorophenyl)hexan-2-one
SMILESCCC(N)CC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-2-11(14)8-12(15)7-9-4-3-5-10(13)6-9/h3-6,11H,2,7-8,14H2,1H3
InChIKeyWXCJAYHYEKHLNM-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.58
Rot. Bonds5

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

4-amino-1-(3-chlorophenyl)hexan-2-one (PubChem CID 116609053) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 4-amino-1-(3-chlorophenyl)hexan-2-one.

Molecular Properties

Compound Name4-amino-1-(3-chlorophenyl)hexan-2-one
PubChem CID116609053
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name4-amino-1-(3-chlorophenyl)hexan-2-one
SMILESCCC(N)CC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-2-11(14)8-12(15)7-9-4-3-5-10(13)6-9/h3-6,11H,2,7-8,14H2,1H3
InChIKeyWXCJAYHYEKHLNM-UHFFFAOYSA-N
XLogP2.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(3-chlorophenyl)-5-methylhexan-2-one
CID 116606295
1-(3-chlorophenyl)-4-methylhexan-2-one
CID 62621128
4-amino-1-(5-chloro-2-fluorophenyl)hexan-2-one
CID 103052461
1-butan-2-ylsulfanyl-3-(3-chlorophenyl)propan-2-one
CID 65136512
3-amino-1-(3-chlorophenyl)-4-methylpentan-2-one
CID 116548985
1-(3-chlorophenyl)propan-2-one
CID 2734097
4-amino-1-(4-hydroxyphenyl)hexan-2-one
CID 116609109
1-(3-chlorophenyl)-4-(ethylamino)butan-2-one
CID 116565791
6-amino-1-(3-chlorophenyl)hexan-2-one
CID 116571976
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)propan-2-one
CID 160743343
N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide
CID 106288320
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate
CID 112533158

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-chlorophenyl)hexan-2-one?
The IUPAC name of 4-amino-1-(3-chlorophenyl)hexan-2-one (CID 116609053) is 4-amino-1-(3-chlorophenyl)hexan-2-one.
What is the SMILES notation for 4-amino-1-(3-chlorophenyl)hexan-2-one?
The canonical SMILES for 4-amino-1-(3-chlorophenyl)hexan-2-one is CCC(N)CC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 4-amino-1-(3-chlorophenyl)hexan-2-one?
The InChIKey is WXCJAYHYEKHLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-2-11(14)8-12(15)7-9-4-3-5-10(13)6-9/h3-6,11H,2,7-8,14H2,1H3.
What are the key properties of 4-amino-1-(3-chlorophenyl)hexan-2-one?
4-amino-1-(3-chlorophenyl)hexan-2-one has a molecular weight of 225.72 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-chlorophenyl)hexan-2-one is sourced from PubChem (CID 116609053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).