2-[1-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]naphthalen-1-ol

C18H23NO2 — CID 104582701

IUPAC2-[1-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]naphthalen-1-ol
SMILESCC(NC1CCCC1CO)c1ccc2ccccc2c1O
InChIInChI=1S/C18H23NO2/c1-12(19-17-8-4-6-14(17)11-20)15-10-9-13-5-2-3-7-16(13)18(15)21/h2-3,5,7,9-10,12,14,17,19-21H,4,6,8,11H2,1H3
InChIKeyUZXPKTWJOOIZMX-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.36
Rot. Bonds4

About 2-[1-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]naphthalen-1-ol

2-[1-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]naphthalen-1-ol (PubChem CID 104582701) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[1-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]naphthalen-1-ol
PubChem CID104582701
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[1-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]naphthalen-1-ol
SMILESCC(NC1CCCC1CO)c1ccc2ccccc2c1O
InChIInChI=1S/C18H23NO2/c1-12(19-17-8-4-6-14(17)11-20)15-10-9-13-5-2-3-7-16(13)18(15)21/h2-3,5,7,9-10,12,14,17,19-21H,4,6,8,11H2,1H3
InChIKeyUZXPKTWJOOIZMX-UHFFFAOYSA-N
XLogP3.36
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.36
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

N-[(2-Hydroxy-naphthalen-1-yl)-phenyl-methyl]-3-methyl-butyramide
CID 2928633
N-[(2-hydroxy-1-naphthyl)(4-isopropylphenyl)methyl]acetamide
CID 3136143
N-[(2-Hydroxy-1-naphthalenyl)phenylmethyl]acetamide
CID 220658
2-(Piperidinomethyl)-1-Naphthol
CID 241241
2-[Phenyl(piperidin-1-yl)methyl]naphthalen-1-ol
CID 288873
3-[(Dibutylamino)methyl]naphthalen-2-ol;hydrochloride
CID 44531452
1,5-Bis[(cyclohexylamino)methyl]naphthalene-2,6-diol;hydrochloride
CID 44531483
1-[(Cyclohexylmethylamino)methyl]naphthalen-2-ol
CID 43371473
2-(((R)-2-((R)-1-hydroxy-2-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)ethyl)pyrrolidin-1-yl)methyl)phenol
CID 44405847
3-[(Cyclohexylamino)methyl]naphthalen-2-ol;hydrochloride
CID 44523412
1-[(Cyclohexylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 44531318
1,5-Bis[(pentan-3-ylamino)methyl]naphthalene-2,6-diol;hydrochloride
CID 44531436

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]naphthalen-1-ol (CID 104582701) is 2-[1-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]naphthalen-1-ol is CC(NC1CCCC1CO)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[1-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]naphthalen-1-ol?
The InChIKey is UZXPKTWJOOIZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12(19-17-8-4-6-14(17)11-20)15-10-9-13-5-2-3-7-16(13)18(15)21/h2-3,5,7,9-10,12,14,17,19-21H,4,6,8,11H2,1H3.
What are the key properties of 2-[1-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]naphthalen-1-ol?
2-[1-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]naphthalen-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]naphthalen-1-ol is sourced from PubChem (CID 104582701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).