(4-aminonaphthalen-1-yl)methanol

C11H11NO — CID 118807838

IUPAC(4-aminonaphthalen-1-yl)methanol
SMILESNc1ccc(CO)c2ccccc12
InChIInChI=1S/C11H11NO/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-6,13H,7,12H2
InChIKeyZKLPKBQYLYXXQA-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.91
Rot. Bonds1

About (4-aminonaphthalen-1-yl)methanol

(4-aminonaphthalen-1-yl)methanol (PubChem CID 118807838) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is (4-aminonaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(4-aminonaphthalen-1-yl)methanol
PubChem CID118807838
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name(4-aminonaphthalen-1-yl)methanol
SMILESNc1ccc(CO)c2ccccc12
InChIInChI=1S/C11H11NO/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-6,13H,7,12H2
InChIKeyZKLPKBQYLYXXQA-UHFFFAOYSA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4-aminonaphthalen-1-yl)methanol 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

6-Aminochrysene-1,2-dihydrodiol
CID 107900
2-Amino-5-methylbenzyl alcohol
CID 576450
(3-Amino-2-methylphenyl)methanol
CID 577175
(4-Amino-3-methylphenyl)methanol
CID 1514189
(2-Amino-6-methylphenyl)methanol
CID 15339417
[4-Amino-3-(hydroxymethyl)phenyl]methanol
CID 67127241
(4-Amino-2-(hydroxymethyl)phenyl)methanol
CID 6422064
(3-Aminonaphthalen-2-yl)methanol
CID 10374898
(4-Aminophenyl)(phenyl)methanol
CID 242216
(5-Amino-2-methylphenyl)methanol
CID 292097
(3-Amino-2-methylphenyl)methanol hydrochloride
CID 20270659
(5-Amino-2,4-dimethylphenyl)methanol
CID 54594922

Frequently Asked Questions

What is the IUPAC name of (4-aminonaphthalen-1-yl)methanol?
The IUPAC name of (4-aminonaphthalen-1-yl)methanol (CID 118807838) is (4-aminonaphthalen-1-yl)methanol.
What is the SMILES notation for (4-aminonaphthalen-1-yl)methanol?
The canonical SMILES for (4-aminonaphthalen-1-yl)methanol is Nc1ccc(CO)c2ccccc12.
What is the InChIKey of (4-aminonaphthalen-1-yl)methanol?
The InChIKey is ZKLPKBQYLYXXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-6,13H,7,12H2.
What are the key properties of (4-aminonaphthalen-1-yl)methanol?
(4-aminonaphthalen-1-yl)methanol has a molecular weight of 173.21 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminonaphthalen-1-yl)methanol is sourced from PubChem (CID 118807838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).