2,3-diamino-4-(4-methylcyclohexyl)phenol

C13H20N2O — CID 158163153

IUPAC2,3-diamino-4-(4-methylcyclohexyl)phenol
SMILESCC1CCC(c2ccc(O)c(N)c2N)CC1
InChIInChI=1S/C13H20N2O/c1-8-2-4-9(5-3-8)10-6-7-11(16)13(15)12(10)14/h6-9,16H,2-5,14-15H2,1H3
InChIKeyFWNGTOVRYUJFAR-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.85
Rot. Bonds1

About 2,3-diamino-4-(4-methylcyclohexyl)phenol

2,3-diamino-4-(4-methylcyclohexyl)phenol (PubChem CID 158163153) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2,3-diamino-4-(4-methylcyclohexyl)phenol.

Molecular Properties

Compound Name2,3-diamino-4-(4-methylcyclohexyl)phenol
PubChem CID158163153
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2,3-diamino-4-(4-methylcyclohexyl)phenol
SMILESCC1CCC(c2ccc(O)c(N)c2N)CC1
InChIInChI=1S/C13H20N2O/c1-8-2-4-9(5-3-8)10-6-7-11(16)13(15)12(10)14/h6-9,16H,2-5,14-15H2,1H3
InChIKeyFWNGTOVRYUJFAR-UHFFFAOYSA-N
XLogP2.85
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dicyclopropylaniline
CID 129249080
3-chloro-2-fluoro-4-(4-methylcyclohexyl)aniline
CID 90936295
2-amino-3-piperidin-4-ylphenol
CID 117103764
ethane;1,7,8-trifluoro-6-(4-methylcyclohexyl)naphthalen-2-ol
CID 143998609
2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;bis(yttrium)
CID 159036951
2-amino-3-pyrrolidin-3-ylphenol
CID 117103712
4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol
CID 164913639
2,6-di(cyclobutyl)aniline
CID 172550384
2-bromo-6-cyclopropylaniline
CID 155970280
3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 71046263
2-amino-4-[4-[ethyl(3-phenylpropyl)amino]cyclohexyl]-3-methylphenol
CID 174447370
3-methyl-2-(4-methylcyclohexyl)aniline
CID 125449490

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-4-(4-methylcyclohexyl)phenol?
The IUPAC name of 2,3-diamino-4-(4-methylcyclohexyl)phenol (CID 158163153) is 2,3-diamino-4-(4-methylcyclohexyl)phenol.
What is the SMILES notation for 2,3-diamino-4-(4-methylcyclohexyl)phenol?
The canonical SMILES for 2,3-diamino-4-(4-methylcyclohexyl)phenol is CC1CCC(c2ccc(O)c(N)c2N)CC1.
What is the InChIKey of 2,3-diamino-4-(4-methylcyclohexyl)phenol?
The InChIKey is FWNGTOVRYUJFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-8-2-4-9(5-3-8)10-6-7-11(16)13(15)12(10)14/h6-9,16H,2-5,14-15H2,1H3.
What are the key properties of 2,3-diamino-4-(4-methylcyclohexyl)phenol?
2,3-diamino-4-(4-methylcyclohexyl)phenol has a molecular weight of 220.32 g/mol, XLogP of 2.85, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-4-(4-methylcyclohexyl)phenol is sourced from PubChem (CID 158163153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).