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

C14H21NO3 — CID 65105787

IUPAC4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol
SMILESCC(NCC1(O)CCCC1)c1ccc(O)cc1O
InChIInChI=1S/C14H21NO3/c1-10(12-5-4-11(16)8-13(12)17)15-9-14(18)6-2-3-7-14/h4-5,8,10,15-18H,2-3,6-7,9H2,1H3
InChIKeyBGMGUMRDZIOVBF-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.05
Rot. Bonds4

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

4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol (PubChem CID 65105787) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol
PubChem CID65105787
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol
SMILESCC(NCC1(O)CCCC1)c1ccc(O)cc1O
InChIInChI=1S/C14H21NO3/c1-10(12-5-4-11(16)8-13(12)17)15-9-14(18)6-2-3-7-14/h4-5,8,10,15-18H,2-3,6-7,9H2,1H3
InChIKeyBGMGUMRDZIOVBF-UHFFFAOYSA-N
XLogP2.05
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol
CID 65107647
1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65123420
2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol
CID 104582377
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122847
2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol
CID 65107155
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122891
1-[[1-(2,5-difluorophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105414
1-[[1-(2-chloro-4-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65123525
4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol
CID 43151178
4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]benzene-1,3-diol
CID 104759725
2-[1-(2,4-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide
CID 43567781

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol?
The IUPAC name of 4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol (CID 65105787) is 4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol is CC(NCC1(O)CCCC1)c1ccc(O)cc1O.
What is the InChIKey of 4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol?
The InChIKey is BGMGUMRDZIOVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(12-5-4-11(16)8-13(12)17)15-9-14(18)6-2-3-7-14/h4-5,8,10,15-18H,2-3,6-7,9H2,1H3.
What are the key properties of 4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol?
4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol has a molecular weight of 251.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 65105787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).