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

C15H21NO2 — CID 43204126

IUPAC4-[1-(dicyclopropylmethylamino)ethyl]benzene-1,3-diol
SMILESCC(NC(C1CC1)C1CC1)c1ccc(O)cc1O
InChIInChI=1S/C15H21NO2/c1-9(13-7-6-12(17)8-14(13)18)16-15(10-2-3-10)11-4-5-11/h6-11,15-18H,2-5H2,1H3
InChIKeyOACBKPVZDNMBAH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.94
Rot. Bonds5

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

4-[1-(dicyclopropylmethylamino)ethyl]benzene-1,3-diol (PubChem CID 43204126) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[1-(dicyclopropylmethylamino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-(dicyclopropylmethylamino)ethyl]benzene-1,3-diol
PubChem CID43204126
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-[1-(dicyclopropylmethylamino)ethyl]benzene-1,3-diol
SMILESCC(NC(C1CC1)C1CC1)c1ccc(O)cc1O
InChIInChI=1S/C15H21NO2/c1-9(13-7-6-12(17)8-14(13)18)16-15(10-2-3-10)11-4-5-11/h6-11,15-18H,2-5H2,1H3
InChIKeyOACBKPVZDNMBAH-UHFFFAOYSA-N
XLogP2.94
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]benzene-1,3-diol
CID 43193368
4-(1-hydrazinylethyl)benzene-1,3-diol
CID 53402211
N-(dicyclopropylmethyl)-1-(2,4-difluorophenyl)ethanamine
CID 43204151
2-[1-(2,4-dihydroxyphenyl)ethylamino]propanamide
CID 43545402
4-[1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethyl]benzene-1,3-diol
CID 81379941
4-[(R)-amino(cyclopropyl)methyl]benzene-1,3-diol;hydrochloride
CID 171200126
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol
CID 113478638
2-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]benzene-1,4-diol
CID 81394389
4-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]ethyl]benzene-1,3-diol
CID 61245954
4-[1-(1-thiophen-2-ylethylamino)ethyl]benzene-1,3-diol
CID 43206010
4-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]benzene-1,3-diol
CID 43202083

Frequently Asked Questions

What is the IUPAC name of 4-[1-(dicyclopropylmethylamino)ethyl]benzene-1,3-diol?
The IUPAC name of 4-[1-(dicyclopropylmethylamino)ethyl]benzene-1,3-diol (CID 43204126) is 4-[1-(dicyclopropylmethylamino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-(dicyclopropylmethylamino)ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[1-(dicyclopropylmethylamino)ethyl]benzene-1,3-diol is CC(NC(C1CC1)C1CC1)c1ccc(O)cc1O.
What is the InChIKey of 4-[1-(dicyclopropylmethylamino)ethyl]benzene-1,3-diol?
The InChIKey is OACBKPVZDNMBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-9(13-7-6-12(17)8-14(13)18)16-15(10-2-3-10)11-4-5-11/h6-11,15-18H,2-5H2,1H3.
What are the key properties of 4-[1-(dicyclopropylmethylamino)ethyl]benzene-1,3-diol?
4-[1-(dicyclopropylmethylamino)ethyl]benzene-1,3-diol has a molecular weight of 247.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dicyclopropylmethylamino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 43204126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).