(2R)-2-amino-2-(2-methylphenyl)cyclohexan-1-one

C13H17NO — CID 156538428

IUPAC(2R)-2-amino-2-(2-methylphenyl)cyclohexan-1-one
SMILESCc1ccccc1[C@]1(N)CCCCC1=O
InChIInChI=1S/C13H17NO/c1-10-6-2-3-7-11(10)13(14)9-5-4-8-12(13)15/h2-3,6-7H,4-5,8-9,14H2,1H3/t13-/m1/s1
InChIKeyQRNZGSWXBJOLAI-CYBMUJFWSA-N
MW203.29 g/mol
LogP2.29
Rot. Bonds1

About (2R)-2-amino-2-(2-methylphenyl)cyclohexan-1-one

(2R)-2-amino-2-(2-methylphenyl)cyclohexan-1-one (PubChem CID 156538428) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-methylphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-methylphenyl)cyclohexan-1-one
PubChem CID156538428
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(2R)-2-amino-2-(2-methylphenyl)cyclohexan-1-one
SMILESCc1ccccc1[C@]1(N)CCCCC1=O
InChIInChI=1S/C13H17NO/c1-10-6-2-3-7-11(10)13(14)9-5-4-8-12(13)15/h2-3,6-7H,4-5,8-9,14H2,1H3/t13-/m1/s1
InChIKeyQRNZGSWXBJOLAI-CYBMUJFWSA-N
XLogP2.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(2-chlorophenyl)cyclohexan-1-one;hydrochloride
CID 25195026
(2R)-2-(methylamino)-2-(2-methylphenyl)cyclohexan-1-one;hydrochloride
CID 155970795
2-amino-2-(2-chloro-3-fluorophenyl)cyclohexan-1-one
CID 166124265
2-amino-2-(2-fluoro-5-methylphenyl)cyclohexan-1-one
CID 159652765
2-amino-2-[2-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 139573709
5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 54919324
(2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;(2S)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;1-chloro-2-(cyclohexen-1-yl)benzene;molecular fluorine
CID 158231024
2-amino-2-(2-chloro-4-methoxyphenyl)cyclohexan-1-one
CID 166124236
2-amino-2-(2-chloro-3,4,5,6-tetradeuteriophenyl)cyclohexan-1-one
CID 71751218
1-methyl-1-(2-methylphenyl)-3,4-dihydronaphthalen-2-one
CID 164527986
2-tert-butyl-1-(2-methylphenyl)cyclohexan-1-amine
CID 54918914
(1R)-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine
CID 156552436

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-methylphenyl)cyclohexan-1-one?
The IUPAC name of (2R)-2-amino-2-(2-methylphenyl)cyclohexan-1-one (CID 156538428) is (2R)-2-amino-2-(2-methylphenyl)cyclohexan-1-one.
What is the SMILES notation for (2R)-2-amino-2-(2-methylphenyl)cyclohexan-1-one?
The canonical SMILES for (2R)-2-amino-2-(2-methylphenyl)cyclohexan-1-one is Cc1ccccc1[C@]1(N)CCCCC1=O.
What is the InChIKey of (2R)-2-amino-2-(2-methylphenyl)cyclohexan-1-one?
The InChIKey is QRNZGSWXBJOLAI-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-6-2-3-7-11(10)13(14)9-5-4-8-12(13)15/h2-3,6-7H,4-5,8-9,14H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-amino-2-(2-methylphenyl)cyclohexan-1-one?
(2R)-2-amino-2-(2-methylphenyl)cyclohexan-1-one has a molecular weight of 203.29 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-methylphenyl)cyclohexan-1-one is sourced from PubChem (CID 156538428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).