3-amino-5-cyclohexyl-2-methylphenol

C13H19NO — CID 151494834

IUPAC3-amino-5-cyclohexyl-2-methylphenol
SMILESCc1c(N)cc(C2CCCCC2)cc1O
InChIInChI=1S/C13H19NO/c1-9-12(14)7-11(8-13(9)15)10-5-3-2-4-6-10/h7-8,10,15H,2-6,14H2,1H3
InChIKeyPPEXYAUMLKTJEU-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.33
Rot. Bonds1

About 3-amino-5-cyclohexyl-2-methylphenol

3-amino-5-cyclohexyl-2-methylphenol (PubChem CID 151494834) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-amino-5-cyclohexyl-2-methylphenol.

Molecular Properties

Compound Name3-amino-5-cyclohexyl-2-methylphenol
PubChem CID151494834
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-amino-5-cyclohexyl-2-methylphenol
SMILESCc1c(N)cc(C2CCCCC2)cc1O
InChIInChI=1S/C13H19NO/c1-9-12(14)7-11(8-13(9)15)10-5-3-2-4-6-10/h7-8,10,15H,2-6,14H2,1H3
InChIKeyPPEXYAUMLKTJEU-UHFFFAOYSA-N
XLogP3.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,6-diamino-4-cyclohexylphenol
CID 12501819
2-amino-4,6-dicyclohexylphenol
CID 139812455
2-amino-4,6-dicyclohexylphenol;hydrochloride
CID 139812454
1,3,5-tricyclopentylbenzene
CID 611596
4-cyclodecyl-2-methylphenol
CID 153407623
2,3-dimethyl-5-piperidin-4-ylphenol
CID 117293924
5-cyclopentyl-4-methylbenzene-1,3-diamine
CID 54013593
1-cyclohexyl-3-[(3-cyclohexyl-5-methylphenyl)methyl]-5-methylbenzene
CID 19990202
2,5-di(cyclononyl)phenol
CID 57426125
ethane;hydrogen peroxide;2,4,6-tricyclohexylphenol
CID 145222874
4-cyclohexyl-2,6-difluoroaniline
CID 125450024
4-cyclooctyl-2,6-difluorophenol
CID 151133055

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-cyclohexyl-2-methylphenol?
The IUPAC name of 3-amino-5-cyclohexyl-2-methylphenol (CID 151494834) is 3-amino-5-cyclohexyl-2-methylphenol.
What is the SMILES notation for 3-amino-5-cyclohexyl-2-methylphenol?
The canonical SMILES for 3-amino-5-cyclohexyl-2-methylphenol is Cc1c(N)cc(C2CCCCC2)cc1O.
What is the InChIKey of 3-amino-5-cyclohexyl-2-methylphenol?
The InChIKey is PPEXYAUMLKTJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-12(14)7-11(8-13(9)15)10-5-3-2-4-6-10/h7-8,10,15H,2-6,14H2,1H3.
What are the key properties of 3-amino-5-cyclohexyl-2-methylphenol?
3-amino-5-cyclohexyl-2-methylphenol has a molecular weight of 205.30 g/mol, XLogP of 3.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-cyclohexyl-2-methylphenol is sourced from PubChem (CID 151494834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).