2-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzene-1,4-diol

C17H27NO2 — CID 60971982

IUPAC2-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzene-1,4-diol
SMILESCCC1CCC(CNC(C)c2cc(O)ccc2O)CC1
InChIInChI=1S/C17H27NO2/c1-3-13-4-6-14(7-5-13)11-18-12(2)16-10-15(19)8-9-17(16)20/h8-10,12-14,18-20H,3-7,11H2,1-2H3
InChIKeyAAMVSXTZBSDSHI-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.96
Rot. Bonds5

About 2-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzene-1,4-diol

2-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzene-1,4-diol (PubChem CID 60971982) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzene-1,4-diol
PubChem CID60971982
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzene-1,4-diol
SMILESCCC1CCC(CNC(C)c2cc(O)ccc2O)CC1
InChIInChI=1S/C17H27NO2/c1-3-13-4-6-14(7-5-13)11-18-12(2)16-10-15(19)8-9-17(16)20/h8-10,12-14,18-20H,3-7,11H2,1-2H3
InChIKeyAAMVSXTZBSDSHI-UHFFFAOYSA-N
XLogP3.96
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(oxolan-3-ylmethylamino)ethyl]benzene-1,4-diol
CID 54931891
4-bromo-2-[1-(cyclobutylmethylamino)ethyl]phenol
CID 104581979
4-methyl-2-[1-(thian-4-ylmethylamino)ethyl]phenol
CID 104582454
N-[(4-ethylcyclohexyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 63451778
3-fluoro-4-[1-[(4-methylcyclohexyl)methylamino]ethyl]phenol
CID 107715127
2-[1-[(4-ethylcyclohexyl)amino]ethyl]-4-methylphenol
CID 61466696
2-[1-[2-(dimethylamino)propylamino]ethyl]benzene-1,4-diol
CID 54913339
2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol
CID 114515122
2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol
CID 55097894
2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol
CID 65102724
N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 63452140
N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine
CID 55191785

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzene-1,4-diol?
The IUPAC name of 2-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzene-1,4-diol (CID 60971982) is 2-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzene-1,4-diol?
The canonical SMILES for 2-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzene-1,4-diol is CCC1CCC(CNC(C)c2cc(O)ccc2O)CC1.
What is the InChIKey of 2-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzene-1,4-diol?
The InChIKey is AAMVSXTZBSDSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-13-4-6-14(7-5-13)11-18-12(2)16-10-15(19)8-9-17(16)20/h8-10,12-14,18-20H,3-7,11H2,1-2H3.
What are the key properties of 2-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzene-1,4-diol?
2-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzene-1,4-diol has a molecular weight of 277.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzene-1,4-diol is sourced from PubChem (CID 60971982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).