2-amino-2-(2-chloro-4-methoxyphenyl)cyclohexan-1-one

C13H16ClNO2 — CID 166124236

IUPAC2-amino-2-(2-chloro-4-methoxyphenyl)cyclohexan-1-one
SMILESCOc1ccc(C2(N)CCCCC2=O)c(Cl)c1
InChIInChI=1S/C13H16ClNO2/c1-17-9-5-6-10(11(14)8-9)13(15)7-3-2-4-12(13)16/h5-6,8H,2-4,7,15H2,1H3
InChIKeyXUPFTVPTNAWCDA-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.65
Rot. Bonds2

About 2-amino-2-(2-chloro-4-methoxyphenyl)cyclohexan-1-one

2-amino-2-(2-chloro-4-methoxyphenyl)cyclohexan-1-one (PubChem CID 166124236) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-amino-2-(2-chloro-4-methoxyphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-amino-2-(2-chloro-4-methoxyphenyl)cyclohexan-1-one
PubChem CID166124236
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-amino-2-(2-chloro-4-methoxyphenyl)cyclohexan-1-one
SMILESCOc1ccc(C2(N)CCCCC2=O)c(Cl)c1
InChIInChI=1S/C13H16ClNO2/c1-17-9-5-6-10(11(14)8-9)13(15)7-3-2-4-12(13)16/h5-6,8H,2-4,7,15H2,1H3
InChIKeyXUPFTVPTNAWCDA-UHFFFAOYSA-N
XLogP2.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methoxyphenyl)cyclobutane-1-carbohydrazide
CID 116844322
2-amino-2-(2-chloro-3,4,5,6-tetradeuteriophenyl)cyclohexan-1-one
CID 71751218
1-(3-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 107359302
(2R)-2-amino-2-(2-methylphenyl)cyclohexan-1-one
CID 156538428
2-amino-2-(2-chloro-3-fluorophenyl)cyclohexan-1-one
CID 166124265
2-amino-2-(2-fluoro-5-methylphenyl)cyclohexan-1-one
CID 159652765
(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one
CID 67359240
1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 65313131
(1-aminocyclopropyl)-(2-chloro-4-methoxyphenyl)methanone
CID 116924320
1-amino-N-(2-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 115189617
1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 62800508
methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate
CID 83910529

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-chloro-4-methoxyphenyl)cyclohexan-1-one?
The IUPAC name of 2-amino-2-(2-chloro-4-methoxyphenyl)cyclohexan-1-one (CID 166124236) is 2-amino-2-(2-chloro-4-methoxyphenyl)cyclohexan-1-one.
What is the SMILES notation for 2-amino-2-(2-chloro-4-methoxyphenyl)cyclohexan-1-one?
The canonical SMILES for 2-amino-2-(2-chloro-4-methoxyphenyl)cyclohexan-1-one is COc1ccc(C2(N)CCCCC2=O)c(Cl)c1.
What is the InChIKey of 2-amino-2-(2-chloro-4-methoxyphenyl)cyclohexan-1-one?
The InChIKey is XUPFTVPTNAWCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-17-9-5-6-10(11(14)8-9)13(15)7-3-2-4-12(13)16/h5-6,8H,2-4,7,15H2,1H3.
What are the key properties of 2-amino-2-(2-chloro-4-methoxyphenyl)cyclohexan-1-one?
2-amino-2-(2-chloro-4-methoxyphenyl)cyclohexan-1-one has a molecular weight of 253.73 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-chloro-4-methoxyphenyl)cyclohexan-1-one is sourced from PubChem (CID 166124236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).