1-[[(3-hydroxycyclopentyl)methylamino]methyl]naphthalen-2-ol

C17H21NO2 — CID 103270708

IUPAC1-[[(3-hydroxycyclopentyl)methylamino]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CNCC1CCC(O)C1
InChIInChI=1S/C17H21NO2/c19-14-7-5-12(9-14)10-18-11-16-15-4-2-1-3-13(15)6-8-17(16)20/h1-4,6,8,12,14,18-20H,5,7,9-11H2
InChIKeyYCNKSFROWBHEBP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.80
Rot. Bonds4

About 1-[[(3-hydroxycyclopentyl)methylamino]methyl]naphthalen-2-ol

1-[[(3-hydroxycyclopentyl)methylamino]methyl]naphthalen-2-ol (PubChem CID 103270708) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[[(3-hydroxycyclopentyl)methylamino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(3-hydroxycyclopentyl)methylamino]methyl]naphthalen-2-ol
PubChem CID103270708
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[[(3-hydroxycyclopentyl)methylamino]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CNCC1CCC(O)C1
InChIInChI=1S/C17H21NO2/c19-14-7-5-12(9-14)10-18-11-16-15-4-2-1-3-13(15)6-8-17(16)20/h1-4,6,8,12,14,18-20H,5,7,9-11H2
InChIKeyYCNKSFROWBHEBP-UHFFFAOYSA-N
XLogP2.80
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[(3-hydroxycyclopentyl)methylamino]methyl]naphthalen-2-ol 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

1-[(1,4-dioxan-2-ylmethylamino)methyl]naphthalen-2-ol
CID 61023804
3-[(isoquinolin-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 103823537
3-[[(2-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270976
4-chloro-2-[[(3-hydroxycyclopentyl)methylamino]methyl]phenol
CID 103270835
N-[2-[(2-hydroxynaphthalen-1-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115602923
1-(3-hydroxycyclopentyl)naphthalen-2-ol
CID 22600553
1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol
CID 61166416
1-[(octylamino)methyl]naphthalen-2-ol
CID 44531481
1-[[(2,3-dimethylcyclopentyl)amino]methyl]naphthalen-2-ol
CID 64910405
3-chloro-2-[[(3-hydroxycyclobutyl)methylamino]methyl]phenol
CID 114318227
1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol
CID 63933523
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 114146215

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-hydroxycyclopentyl)methylamino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[(3-hydroxycyclopentyl)methylamino]methyl]naphthalen-2-ol (CID 103270708) is 1-[[(3-hydroxycyclopentyl)methylamino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(3-hydroxycyclopentyl)methylamino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(3-hydroxycyclopentyl)methylamino]methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1CNCC1CCC(O)C1.
What is the InChIKey of 1-[[(3-hydroxycyclopentyl)methylamino]methyl]naphthalen-2-ol?
The InChIKey is YCNKSFROWBHEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-14-7-5-12(9-14)10-18-11-16-15-4-2-1-3-13(15)6-8-17(16)20/h1-4,6,8,12,14,18-20H,5,7,9-11H2.
What are the key properties of 1-[[(3-hydroxycyclopentyl)methylamino]methyl]naphthalen-2-ol?
1-[[(3-hydroxycyclopentyl)methylamino]methyl]naphthalen-2-ol has a molecular weight of 271.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-hydroxycyclopentyl)methylamino]methyl]naphthalen-2-ol is sourced from PubChem (CID 103270708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).