1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol

C15H19NO2 — CID 63933523

IUPAC1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol
SMILESCC(C)(O)CNCc1c(O)ccc2ccccc12
InChIInChI=1S/C15H19NO2/c1-15(2,18)10-16-9-13-12-6-4-3-5-11(12)7-8-14(13)17/h3-8,16-18H,9-10H2,1-2H3
InChIKeyHBBDFXMVXFKLQF-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.41
Rot. Bonds4

About 1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol

1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol (PubChem CID 63933523) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol
PubChem CID63933523
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol
SMILESCC(C)(O)CNCc1c(O)ccc2ccccc12
InChIInChI=1S/C15H19NO2/c1-15(2,18)10-16-9-13-12-6-4-3-5-11(12)7-8-14(13)17/h3-8,16-18H,9-10H2,1-2H3
InChIKeyHBBDFXMVXFKLQF-UHFFFAOYSA-N
XLogP2.41
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[(2-hydroxy-2-methylpropyl)amino]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-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol
CID 61166416
1-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]naphthalen-2-ol
CID 111118565
1-[[(2-hydroxy-3,3-dimethylbutyl)amino]methyl]naphthalen-2-ol
CID 111119224
1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol
CID 60912931
1-[(octylamino)methyl]naphthalen-2-ol
CID 44531481
1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol
CID 115632450
1-[(pent-3-ynylamino)methyl]naphthalen-2-ol
CID 116642987
2-[(2-hydroxynaphthalen-1-yl)methylamino]-N,N-dimethylacetamide
CID 43310908
1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol
CID 61019837
1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol
CID 43824878
1-[(acridin-9-ylamino)methyl]naphthalen-2-ol
CID 52939432
1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]naphthalen-2-ol
CID 78916549

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol (CID 63933523) is 1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol is CC(C)(O)CNCc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol?
The InChIKey is HBBDFXMVXFKLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(2,18)10-16-9-13-12-6-4-3-5-11(12)7-8-14(13)17/h3-8,16-18H,9-10H2,1-2H3.
What are the key properties of 1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol?
1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol has a molecular weight of 245.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 63933523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).