2-amino-6-(4-hydroxy-3-methylphenyl)naphthalene-1-carbaldehyde

C18H15NO2 — CID 126763706

IUPAC2-amino-6-(4-hydroxy-3-methylphenyl)naphthalene-1-carbaldehyde
SMILESCc1cc(-c2ccc3c(C=O)c(N)ccc3c2)ccc1O
InChIInChI=1S/C18H15NO2/c1-11-8-12(4-7-18(11)21)13-2-5-15-14(9-13)3-6-17(19)16(15)10-20/h2-10,21H,19H2,1H3
InChIKeyQXLZZFVRXJMMDS-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.92
Rot. Bonds2

About 2-amino-6-(4-hydroxy-3-methylphenyl)naphthalene-1-carbaldehyde

2-amino-6-(4-hydroxy-3-methylphenyl)naphthalene-1-carbaldehyde (PubChem CID 126763706) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-amino-6-(4-hydroxy-3-methylphenyl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-amino-6-(4-hydroxy-3-methylphenyl)naphthalene-1-carbaldehyde
PubChem CID126763706
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name2-amino-6-(4-hydroxy-3-methylphenyl)naphthalene-1-carbaldehyde
SMILESCc1cc(-c2ccc3c(C=O)c(N)ccc3c2)ccc1O
InChIInChI=1S/C18H15NO2/c1-11-8-12(4-7-18(11)21)13-2-5-15-14(9-13)3-6-17(19)16(15)10-20/h2-10,21H,19H2,1H3
InChIKeyQXLZZFVRXJMMDS-UHFFFAOYSA-N
XLogP3.92
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-6-(4-hydroxy-3-methylphenyl)naphthalene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-hydroxy-3-methylphenyl)naphthalene-1-carbaldehyde?
The IUPAC name of 2-amino-6-(4-hydroxy-3-methylphenyl)naphthalene-1-carbaldehyde (CID 126763706) is 2-amino-6-(4-hydroxy-3-methylphenyl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-amino-6-(4-hydroxy-3-methylphenyl)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-amino-6-(4-hydroxy-3-methylphenyl)naphthalene-1-carbaldehyde is Cc1cc(-c2ccc3c(C=O)c(N)ccc3c2)ccc1O.
What is the InChIKey of 2-amino-6-(4-hydroxy-3-methylphenyl)naphthalene-1-carbaldehyde?
The InChIKey is QXLZZFVRXJMMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-11-8-12(4-7-18(11)21)13-2-5-15-14(9-13)3-6-17(19)16(15)10-20/h2-10,21H,19H2,1H3.
What are the key properties of 2-amino-6-(4-hydroxy-3-methylphenyl)naphthalene-1-carbaldehyde?
2-amino-6-(4-hydroxy-3-methylphenyl)naphthalene-1-carbaldehyde has a molecular weight of 277.32 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-hydroxy-3-methylphenyl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 126763706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).