4-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]benzene-1,3-diol

C16H23NO2 — CID 63688848

IUPAC4-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]benzene-1,3-diol
SMILESCC(NCC1CC2CCC1C2)c1ccc(O)cc1O
InChIInChI=1S/C16H23NO2/c1-10(15-5-4-14(18)8-16(15)19)17-9-13-7-11-2-3-12(13)6-11/h4-5,8,10-13,17-19H,2-3,6-7,9H2,1H3
InChIKeyWRQGSLRNHAFUMN-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.18
Rot. Bonds4

About 4-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]benzene-1,3-diol

4-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]benzene-1,3-diol (PubChem CID 63688848) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]benzene-1,3-diol
PubChem CID63688848
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]benzene-1,3-diol
SMILESCC(NCC1CC2CCC1C2)c1ccc(O)cc1O
InChIInChI=1S/C16H23NO2/c1-10(15-5-4-14(18)8-16(15)19)17-9-13-7-11-2-3-12(13)6-11/h4-5,8,10-13,17-19H,2-3,6-7,9H2,1H3
InChIKeyWRQGSLRNHAFUMN-UHFFFAOYSA-N
XLogP3.18
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]-4-methoxyphenol
CID 63682765
4-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]benzene-1,3-diol
CID 43193368
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 63682761
4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol
CID 113478638
4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol
CID 43151178
5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol
CID 107417292
4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol
CID 65105787
4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol
CID 106008680
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83119895
2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol
CID 64928670
3-[1-(2,4-dihydroxyphenyl)ethylamino]-2-methylpropanenitrile
CID 62648148
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64830997

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]benzene-1,3-diol?
The IUPAC name of 4-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]benzene-1,3-diol (CID 63688848) is 4-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]benzene-1,3-diol is CC(NCC1CC2CCC1C2)c1ccc(O)cc1O.
What is the InChIKey of 4-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]benzene-1,3-diol?
The InChIKey is WRQGSLRNHAFUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10(15-5-4-14(18)8-16(15)19)17-9-13-7-11-2-3-12(13)6-11/h4-5,8,10-13,17-19H,2-3,6-7,9H2,1H3.
What are the key properties of 4-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]benzene-1,3-diol?
4-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]benzene-1,3-diol has a molecular weight of 261.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 63688848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).