3-[(2,4-dimethylanilino)-hydroxymethyl]naphthalen-2-ol

C19H19NO2 — CID 140700259

IUPAC3-[(2,4-dimethylanilino)-hydroxymethyl]naphthalen-2-ol
SMILESCc1ccc(NC(O)c2cc3ccccc3cc2O)c(C)c1
InChIInChI=1S/C19H19NO2/c1-12-7-8-17(13(2)9-12)20-19(22)16-10-14-5-3-4-6-15(14)11-18(16)21/h3-11,19-22H,1-2H3
InChIKeyCHEPBSBPWDZKRQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.27
Rot. Bonds3

About 3-[(2,4-dimethylanilino)-hydroxymethyl]naphthalen-2-ol

3-[(2,4-dimethylanilino)-hydroxymethyl]naphthalen-2-ol (PubChem CID 140700259) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[(2,4-dimethylanilino)-hydroxymethyl]naphthalen-2-ol.

Molecular Properties

Compound Name3-[(2,4-dimethylanilino)-hydroxymethyl]naphthalen-2-ol
PubChem CID140700259
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name3-[(2,4-dimethylanilino)-hydroxymethyl]naphthalen-2-ol
SMILESCc1ccc(NC(O)c2cc3ccccc3cc2O)c(C)c1
InChIInChI=1S/C19H19NO2/c1-12-7-8-17(13(2)9-12)20-19(22)16-10-14-5-3-4-6-15(14)11-18(16)21/h3-11,19-22H,1-2H3
InChIKeyCHEPBSBPWDZKRQ-UHFFFAOYSA-N
XLogP4.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2,4-dimethylanilino)-hydroxymethyl]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

bis([(2,4-dimethylanilino)-(3-hydroxynaphthalen-2-yl)methylidene]oxidanium);manganese
CID 3879484
2-(2,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
CID 3283629
[1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate
CID 46619683
2-(2,4-dimethylanilino)propan-1-ol
CID 130502576
2,4-dimethyl-N-(2-methyl-1-phenylpropyl)aniline
CID 43755773
7-[(S)-(2,4-dimethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 1180433
ethyl 2-(2,4-dimethylanilino)-2-phenylacetate
CID 103600909
2-[1-(2,5-dimethylanilino)ethyl]phenol
CID 43196548
2-(2,4-dimethylanilino)propanoic acid
CID 13138173
2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43104045
bis((2,4-dimethylphenyl)-[hydroxy-(3-hydroxynaphthalen-2-yl)methylidene]azanium);manganese
CID 50911167
(2S)-2-(2,4-dimethylanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide
CID 999697

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylanilino)-hydroxymethyl]naphthalen-2-ol?
The IUPAC name of 3-[(2,4-dimethylanilino)-hydroxymethyl]naphthalen-2-ol (CID 140700259) is 3-[(2,4-dimethylanilino)-hydroxymethyl]naphthalen-2-ol.
What is the SMILES notation for 3-[(2,4-dimethylanilino)-hydroxymethyl]naphthalen-2-ol?
The canonical SMILES for 3-[(2,4-dimethylanilino)-hydroxymethyl]naphthalen-2-ol is Cc1ccc(NC(O)c2cc3ccccc3cc2O)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylanilino)-hydroxymethyl]naphthalen-2-ol?
The InChIKey is CHEPBSBPWDZKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-12-7-8-17(13(2)9-12)20-19(22)16-10-14-5-3-4-6-15(14)11-18(16)21/h3-11,19-22H,1-2H3.
What are the key properties of 3-[(2,4-dimethylanilino)-hydroxymethyl]naphthalen-2-ol?
3-[(2,4-dimethylanilino)-hydroxymethyl]naphthalen-2-ol has a molecular weight of 293.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylanilino)-hydroxymethyl]naphthalen-2-ol is sourced from PubChem (CID 140700259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).