5-(1-aminocyclohexyl)-2-hydroxy-3-methylbenzonitrile

C14H18N2O — CID 117332825

IUPAC5-(1-aminocyclohexyl)-2-hydroxy-3-methylbenzonitrile
SMILESCc1cc(C2(N)CCCCC2)cc(C#N)c1O
InChIInChI=1S/C14H18N2O/c1-10-7-12(8-11(9-15)13(10)17)14(16)5-3-2-4-6-14/h7-8,17H,2-6,16H2,1H3
InChIKeyORTYTEOPDSEOCS-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.69
Rot. Bonds1

About 5-(1-aminocyclohexyl)-2-hydroxy-3-methylbenzonitrile

5-(1-aminocyclohexyl)-2-hydroxy-3-methylbenzonitrile (PubChem CID 117332825) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-(1-aminocyclohexyl)-2-hydroxy-3-methylbenzonitrile.

Molecular Properties

Compound Name5-(1-aminocyclohexyl)-2-hydroxy-3-methylbenzonitrile
PubChem CID117332825
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-(1-aminocyclohexyl)-2-hydroxy-3-methylbenzonitrile
SMILESCc1cc(C2(N)CCCCC2)cc(C#N)c1O
InChIInChI=1S/C14H18N2O/c1-10-7-12(8-11(9-15)13(10)17)14(16)5-3-2-4-6-14/h7-8,17H,2-6,16H2,1H3
InChIKeyORTYTEOPDSEOCS-UHFFFAOYSA-N
XLogP2.69
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-aminocyclohexyl)-3-methylbenzene-1,2-diol
CID 117316475
4-(1-aminocyclohexyl)-2-(difluoromethyl)-6-methylphenol
CID 117391230
4-(1-aminocyclopentyl)-2-[(dimethylamino)methyl]-6-methylphenol
CID 117374646
5-[(1-aminocyclopropyl)methyl]-2-hydroxy-3-methylbenzonitrile
CID 117290928
5-(1-aminocyclohexyl)-2-bromo-3-methylphenol
CID 84813036
4-(1-aminocyclopentyl)-2,6-dimethylaniline
CID 84778060
1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine
CID 84789567
5-(1-aminocyclopentyl)-2-methoxybenzonitrile
CID 84784738
4-(1-aminocyclohexyl)-2,3,6-trimethylphenol
CID 117114619
4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclotetradecyl]-2,6-dimethylphenol
CID 154629594
4-(1-aminocyclopropyl)-2-[(dimethylamino)methyl]-6-methylphenol
CID 84787545
1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117461277

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclohexyl)-2-hydroxy-3-methylbenzonitrile?
The IUPAC name of 5-(1-aminocyclohexyl)-2-hydroxy-3-methylbenzonitrile (CID 117332825) is 5-(1-aminocyclohexyl)-2-hydroxy-3-methylbenzonitrile.
What is the SMILES notation for 5-(1-aminocyclohexyl)-2-hydroxy-3-methylbenzonitrile?
The canonical SMILES for 5-(1-aminocyclohexyl)-2-hydroxy-3-methylbenzonitrile is Cc1cc(C2(N)CCCCC2)cc(C#N)c1O.
What is the InChIKey of 5-(1-aminocyclohexyl)-2-hydroxy-3-methylbenzonitrile?
The InChIKey is ORTYTEOPDSEOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-7-12(8-11(9-15)13(10)17)14(16)5-3-2-4-6-14/h7-8,17H,2-6,16H2,1H3.
What are the key properties of 5-(1-aminocyclohexyl)-2-hydroxy-3-methylbenzonitrile?
5-(1-aminocyclohexyl)-2-hydroxy-3-methylbenzonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclohexyl)-2-hydroxy-3-methylbenzonitrile is sourced from PubChem (CID 117332825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).