4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol

C16H25NO2 — CID 106008680

IUPAC4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol
SMILESCC(NCCCC1CCCC1)c1ccc(O)cc1O
InChIInChI=1S/C16H25NO2/c1-12(15-9-8-14(18)11-16(15)19)17-10-4-7-13-5-2-3-6-13/h8-9,11-13,17-19H,2-7,10H2,1H3
InChIKeyPSPHFHKGAZCYEM-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.72
Rot. Bonds6

About 4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol

4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol (PubChem CID 106008680) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol
PubChem CID106008680
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol
SMILESCC(NCCCC1CCCC1)c1ccc(O)cc1O
InChIInChI=1S/C16H25NO2/c1-12(15-9-8-14(18)11-16(15)19)17-10-4-7-13-5-2-3-6-13/h8-9,11-13,17-19H,2-7,10H2,1H3
InChIKeyPSPHFHKGAZCYEM-UHFFFAOYSA-N
XLogP3.72
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol
CID 113478638
4-[1-(4,4,4-trifluorobutylamino)ethyl]benzene-1,3-diol
CID 115516399
5-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol
CID 106008779
4-[1-(5,5,5-trifluoropentylamino)ethyl]benzene-1,3-diol
CID 115517298
4-[1-(3-pyrrolidin-1-ylpropylamino)ethyl]benzene-1,3-diol
CID 43203858
4-[1-(5-hydroxypentylamino)ethyl]benzene-1,3-diol
CID 107316713
4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol
CID 43151178
2-[1-(2-cyclohexylethylamino)ethyl]phenol
CID 54931684
5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide
CID 106234212
5-bromo-2-[1-(2-cyclopropylethylamino)ethyl]phenol
CID 104583290
4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol
CID 107715210
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol?
The IUPAC name of 4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol (CID 106008680) is 4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol is CC(NCCCC1CCCC1)c1ccc(O)cc1O.
What is the InChIKey of 4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol?
The InChIKey is PSPHFHKGAZCYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(15-9-8-14(18)11-16(15)19)17-10-4-7-13-5-2-3-6-13/h8-9,11-13,17-19H,2-7,10H2,1H3.
What are the key properties of 4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol?
4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol has a molecular weight of 263.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 106008680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).