2-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]benzene-1,3-diol

C16H25NO2 — CID 107711831

IUPAC2-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]benzene-1,3-diol
SMILESCC1CCCCC1N(C)C(C)c1c(O)cccc1O
InChIInChI=1S/C16H25NO2/c1-11-7-4-5-8-13(11)17(3)12(2)16-14(18)9-6-10-15(16)19/h6,9-13,18-19H,4-5,7-8H2,1-3H3
InChIKeyHZSWDLGDFBVCSW-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.67
Rot. Bonds3

About 2-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]benzene-1,3-diol

2-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]benzene-1,3-diol (PubChem CID 107711831) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]benzene-1,3-diol
PubChem CID107711831
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]benzene-1,3-diol
SMILESCC1CCCCC1N(C)C(C)c1c(O)cccc1O
InChIInChI=1S/C16H25NO2/c1-11-7-4-5-8-13(11)17(3)12(2)16-14(18)9-6-10-15(16)19/h6,9-13,18-19H,4-5,7-8H2,1-3H3
InChIKeyHZSWDLGDFBVCSW-UHFFFAOYSA-N
XLogP3.67
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol
CID 107721055
2-[1-[methyl(oxolan-3-yl)amino]ethyl]benzene-1,3-diol
CID 107712028
4-[2-[methyl-(2-methylcyclohexyl)amino]propyl]phenol
CID 82985701
1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 63464689
3-[methyl-(2-methylcyclohexyl)amino]phenol
CID 139614787
3-[methyl-(2-methylcyclohexyl)amino]-3-phenylpropanethioamide
CID 62780450
2-[1-(3-chlorophenyl)ethyl-methylamino]cyclohexan-1-ol
CID 62980621
3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 81258647
2,6-difluoro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol
CID 82986680
N-butan-2-yl-N,2-dimethylcyclopentan-1-amine
CID 130634772
N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]propanimidamide
CID 76915196
2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)pentane-2,4-diamine
CID 64706595

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]benzene-1,3-diol?
The IUPAC name of 2-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]benzene-1,3-diol (CID 107711831) is 2-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 2-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 2-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]benzene-1,3-diol is CC1CCCCC1N(C)C(C)c1c(O)cccc1O.
What is the InChIKey of 2-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]benzene-1,3-diol?
The InChIKey is HZSWDLGDFBVCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-7-4-5-8-13(11)17(3)12(2)16-14(18)9-6-10-15(16)19/h6,9-13,18-19H,4-5,7-8H2,1-3H3.
What are the key properties of 2-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]benzene-1,3-diol?
2-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]benzene-1,3-diol has a molecular weight of 263.38 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107711831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).