2-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]benzene-1,4-diol

C15H23NO2 — CID 81394389

IUPAC2-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]benzene-1,4-diol
SMILESCC(N[C@H](C)C1CCCC1)c1cc(O)ccc1O
InChIInChI=1S/C15H23NO2/c1-10(12-5-3-4-6-12)16-11(2)14-9-13(17)7-8-15(14)18/h7-12,16-18H,3-6H2,1-2H3/t10-,11?/m1/s1
InChIKeyCYXJJARIEBPTFC-NFJWQWPMSA-N
MW249.35 g/mol
LogP3.33
Rot. Bonds4

About 2-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]benzene-1,4-diol

2-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]benzene-1,4-diol (PubChem CID 81394389) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]benzene-1,4-diol
PubChem CID81394389
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]benzene-1,4-diol
SMILESCC(N[C@H](C)C1CCCC1)c1cc(O)ccc1O
InChIInChI=1S/C15H23NO2/c1-10(12-5-3-4-6-12)16-11(2)14-9-13(17)7-8-15(14)18/h7-12,16-18H,3-6H2,1-2H3/t10-,11?/m1/s1
InChIKeyCYXJJARIEBPTFC-NFJWQWPMSA-N
XLogP3.33
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.33
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

4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol
CID 107715312
4-[1-(1-cyclohexylethylamino)ethyl]phenol
CID 62405535
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,4-diol
CID 171267061
5-[1-[[(1S)-1-cycloheptylethyl]amino]ethyl]benzene-1,3-diol
CID 107706929
5-[1-(1-cyclohexylethylamino)ethyl]benzene-1,3-diol
CID 107706461
2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,4-diol;hydrochloride
CID 171261378
2-[1-(4-methylpentan-2-ylamino)ethyl]benzene-1,4-diol
CID 43371912
(1S)-1-cyclopentyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine
CID 81385919
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]benzene-1,4-diol
CID 104827658
2-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]benzene-1,4-diol
CID 171267059
(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81390722
2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]benzene-1,4-diol
CID 171261375

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]benzene-1,4-diol?
The IUPAC name of 2-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]benzene-1,4-diol (CID 81394389) is 2-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]benzene-1,4-diol?
The canonical SMILES for 2-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]benzene-1,4-diol is CC(N[C@H](C)C1CCCC1)c1cc(O)ccc1O.
What is the InChIKey of 2-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]benzene-1,4-diol?
The InChIKey is CYXJJARIEBPTFC-NFJWQWPMSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(12-5-3-4-6-12)16-11(2)14-9-13(17)7-8-15(14)18/h7-12,16-18H,3-6H2,1-2H3/t10-,11?/m1/s1.
What are the key properties of 2-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]benzene-1,4-diol?
2-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]benzene-1,4-diol has a molecular weight of 249.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]benzene-1,4-diol is sourced from PubChem (CID 81394389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).