4-amino-4-(3-chlorophenyl)cyclohexan-1-one

C12H14ClNO — CID 115034262

IUPAC4-amino-4-(3-chlorophenyl)cyclohexan-1-one
SMILESNC1(c2cccc(Cl)c2)CCC(=O)CC1
InChIInChI=1S/C12H14ClNO/c13-10-3-1-2-9(8-10)12(14)6-4-11(15)5-7-12/h1-3,8H,4-7,14H2
InChIKeyBMOIFJGPARAYBH-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.64
Rot. Bonds1

About 4-amino-4-(3-chlorophenyl)cyclohexan-1-one

4-amino-4-(3-chlorophenyl)cyclohexan-1-one (PubChem CID 115034262) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 4-amino-4-(3-chlorophenyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-amino-4-(3-chlorophenyl)cyclohexan-1-one
PubChem CID115034262
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name4-amino-4-(3-chlorophenyl)cyclohexan-1-one
SMILESNC1(c2cccc(Cl)c2)CCC(=O)CC1
InChIInChI=1S/C12H14ClNO/c13-10-3-1-2-9(8-10)12(14)6-4-11(15)5-7-12/h1-3,8H,4-7,14H2
InChIKeyBMOIFJGPARAYBH-UHFFFAOYSA-N
XLogP2.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-chlorophenyl)spiro[2.3]hexan-5-amine
CID 65008597
1-[3-(3-chlorophenyl)phenyl]cyclopropan-1-amine;hydrochloride
CID 167713457
3-chlorobenzonitrile;1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride
CID 159605665
1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine
CID 105471866
1-(3-chlorophenyl)-3,3-difluorocyclopentan-1-amine
CID 115038563
1-(3-chlorophenyl)-3-fluoro-3-methylcyclobutan-1-amine
CID 115028526
1-[5-[4-(3-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852778
[4-[1-(3-chlorophenyl)-4-oxocyclohexyl]-2-methylbutan-2-yl] carbamate
CID 151770932
bis[1-(3-chlorophenyl)cyclopropyl]methanone
CID 141485401
3-[4-[4-amino-4-(3-chlorophenyl)-1-methylcyclohexyl]-2,5-dioxopiperazin-1-yl]benzoic acid
CID 174584943
1-chloro-3-(1-methylcyclopropyl)benzene;ethane
CID 171088326
1-(3-chlorophenyl)-4-methyl-4-N-(2-phenylethyl)cyclohexane-1,4-diamine
CID 174600194

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(3-chlorophenyl)cyclohexan-1-one?
The IUPAC name of 4-amino-4-(3-chlorophenyl)cyclohexan-1-one (CID 115034262) is 4-amino-4-(3-chlorophenyl)cyclohexan-1-one.
What is the SMILES notation for 4-amino-4-(3-chlorophenyl)cyclohexan-1-one?
The canonical SMILES for 4-amino-4-(3-chlorophenyl)cyclohexan-1-one is NC1(c2cccc(Cl)c2)CCC(=O)CC1.
What is the InChIKey of 4-amino-4-(3-chlorophenyl)cyclohexan-1-one?
The InChIKey is BMOIFJGPARAYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-10-3-1-2-9(8-10)12(14)6-4-11(15)5-7-12/h1-3,8H,4-7,14H2.
What are the key properties of 4-amino-4-(3-chlorophenyl)cyclohexan-1-one?
4-amino-4-(3-chlorophenyl)cyclohexan-1-one has a molecular weight of 223.70 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(3-chlorophenyl)cyclohexan-1-one is sourced from PubChem (CID 115034262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).