4-methyl-2-[[3-(2-methylpropoxy)anilino]methyl]phenol

C18H23NO2 — CID 63325074

IUPAC4-methyl-2-[[3-(2-methylpropoxy)anilino]methyl]phenol
SMILESCc1ccc(O)c(CNc2cccc(OCC(C)C)c2)c1
InChIInChI=1S/C18H23NO2/c1-13(2)12-21-17-6-4-5-16(10-17)19-11-15-9-14(3)7-8-18(15)20/h4-10,13,19-20H,11-12H2,1-3H3
InChIKeyKKYHRUJZBBRWIQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.35
Rot. Bonds6

About 4-methyl-2-[[3-(2-methylpropoxy)anilino]methyl]phenol

4-methyl-2-[[3-(2-methylpropoxy)anilino]methyl]phenol (PubChem CID 63325074) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-methyl-2-[[3-(2-methylpropoxy)anilino]methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[[3-(2-methylpropoxy)anilino]methyl]phenol
PubChem CID63325074
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-methyl-2-[[3-(2-methylpropoxy)anilino]methyl]phenol
SMILESCc1ccc(O)c(CNc2cccc(OCC(C)C)c2)c1
InChIInChI=1S/C18H23NO2/c1-13(2)12-21-17-6-4-5-16(10-17)19-11-15-9-14(3)7-8-18(15)20/h4-10,13,19-20H,11-12H2,1-3H3
InChIKeyKKYHRUJZBBRWIQ-UHFFFAOYSA-N
XLogP4.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-2-[[3-(2-methylpropoxy)anilino]methyl]phenol 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

2-[(3-fluoroanilino)methyl]-4-methylphenol
CID 63323256
N-[(5-methylfuran-2-yl)methyl]-3-(2-methylpropoxy)aniline
CID 54864368
[3-(2-methylpropoxy)phenyl]hydrazine
CID 55281229
N-[(2-bromo-5-chlorophenyl)methyl]-3-(2-methylpropoxy)aniline
CID 66158975
3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39386919
4-methyl-2-[[3-(trifluoromethyl)anilino]methyl]phenol
CID 63323664
2-[(3-ethynylanilino)methyl]-4-methylphenol
CID 63322524
N-[(4-chlorophenyl)methyl]-3-(2-methylpropoxy)aniline
CID 54800055
2-[(3-methylanilino)methyl]benzene-1,4-diol
CID 82681028
2-[(3,4-dimethylanilino)methyl]-4-methylphenol
CID 63323211
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801649
N-(2-methoxyethyl)-3-(2-methylpropoxy)aniline
CID 83961358

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[3-(2-methylpropoxy)anilino]methyl]phenol?
The IUPAC name of 4-methyl-2-[[3-(2-methylpropoxy)anilino]methyl]phenol (CID 63325074) is 4-methyl-2-[[3-(2-methylpropoxy)anilino]methyl]phenol.
What is the SMILES notation for 4-methyl-2-[[3-(2-methylpropoxy)anilino]methyl]phenol?
The canonical SMILES for 4-methyl-2-[[3-(2-methylpropoxy)anilino]methyl]phenol is Cc1ccc(O)c(CNc2cccc(OCC(C)C)c2)c1.
What is the InChIKey of 4-methyl-2-[[3-(2-methylpropoxy)anilino]methyl]phenol?
The InChIKey is KKYHRUJZBBRWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(2)12-21-17-6-4-5-16(10-17)19-11-15-9-14(3)7-8-18(15)20/h4-10,13,19-20H,11-12H2,1-3H3.
What are the key properties of 4-methyl-2-[[3-(2-methylpropoxy)anilino]methyl]phenol?
4-methyl-2-[[3-(2-methylpropoxy)anilino]methyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[3-(2-methylpropoxy)anilino]methyl]phenol is sourced from PubChem (CID 63325074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).