4-[2-[(4-ethylphenyl)methyl-(5-ethylpyrimidin-2-yl)amino]ethyl]-2-methylphenol

C24H29N3O — CID 59643394

IUPAC4-[2-[(4-ethylphenyl)methyl-(5-ethylpyrimidin-2-yl)amino]ethyl]-2-methylphenol
SMILESCCc1ccc(CN(CCc2ccc(O)c(C)c2)c2ncc(CC)cn2)cc1
InChIInChI=1S/C24H29N3O/c1-4-19-6-8-22(9-7-19)17-27(24-25-15-20(5-2)16-26-24)13-12-21-10-11-23(28)18(3)14-21/h6-11,14-16,28H,4-5,12-13,17H2,1-3H3
InChIKeyJNRMTEFHITXHNI-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.86
Rot. Bonds8

About 4-[2-[(4-ethylphenyl)methyl-(5-ethylpyrimidin-2-yl)amino]ethyl]-2-methylphenol

4-[2-[(4-ethylphenyl)methyl-(5-ethylpyrimidin-2-yl)amino]ethyl]-2-methylphenol (PubChem CID 59643394) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-[2-[(4-ethylphenyl)methyl-(5-ethylpyrimidin-2-yl)amino]ethyl]-2-methylphenol.

Molecular Properties

Compound Name4-[2-[(4-ethylphenyl)methyl-(5-ethylpyrimidin-2-yl)amino]ethyl]-2-methylphenol
PubChem CID59643394
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name4-[2-[(4-ethylphenyl)methyl-(5-ethylpyrimidin-2-yl)amino]ethyl]-2-methylphenol
SMILESCCc1ccc(CN(CCc2ccc(O)c(C)c2)c2ncc(CC)cn2)cc1
InChIInChI=1S/C24H29N3O/c1-4-19-6-8-22(9-7-19)17-27(24-25-15-20(5-2)16-26-24)13-12-21-10-11-23(28)18(3)14-21/h6-11,14-16,28H,4-5,12-13,17H2,1-3H3
InChIKeyJNRMTEFHITXHNI-UHFFFAOYSA-N
XLogP4.86
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(4-ethylphenyl)methyl-(5-ethylpyrimidin-2-yl)amino]ethyl]-2-methylphenol 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

4-[2-[(5-ethylpyrimidin-2-yl)-[[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]phenol
CID 59643341
2-[2-bromo-4-[2-[(5-ethylpyrimidin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]amino]ethyl]phenoxy]acetic acid
CID 59643264
2-[4-[2-[(5-ethylpyrimidin-2-yl)-[(4-fluorophenyl)methyl]amino]ethyl]phenoxy]-2-methylpropanoic acid
CID 10238266
2-[4-[2-[(5-ethylpyrimidin-2-yl)-[(4-propan-2-ylphenyl)methyl]amino]ethyl]phenoxy]-2-methylpropanoic acid
CID 59643256
4-[[benzyl(2-phenylethyl)amino]methyl]-2-methylphenol
CID 142099028
4-butyl-2-methylphenol
CID 10964856
N-[2-(4-bromophenyl)ethyl]-5-ethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine
CID 23575248
acetaldehyde;4-ethyl-2-methylphenol
CID 143589394
2-methyl-4-octadecylphenol
CID 3022311
3-[(5-ethylpyrimidin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]amino]propanal
CID 58970303
2-[4-[2-[(2-chloro-4-fluorophenyl)methyl-(5-ethylpyrimidin-2-yl)amino]ethyl]phenoxy]-2-methylpropanoic acid
CID 59643212
4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol
CID 162497681

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-ethylphenyl)methyl-(5-ethylpyrimidin-2-yl)amino]ethyl]-2-methylphenol?
The IUPAC name of 4-[2-[(4-ethylphenyl)methyl-(5-ethylpyrimidin-2-yl)amino]ethyl]-2-methylphenol (CID 59643394) is 4-[2-[(4-ethylphenyl)methyl-(5-ethylpyrimidin-2-yl)amino]ethyl]-2-methylphenol.
What is the SMILES notation for 4-[2-[(4-ethylphenyl)methyl-(5-ethylpyrimidin-2-yl)amino]ethyl]-2-methylphenol?
The canonical SMILES for 4-[2-[(4-ethylphenyl)methyl-(5-ethylpyrimidin-2-yl)amino]ethyl]-2-methylphenol is CCc1ccc(CN(CCc2ccc(O)c(C)c2)c2ncc(CC)cn2)cc1.
What is the InChIKey of 4-[2-[(4-ethylphenyl)methyl-(5-ethylpyrimidin-2-yl)amino]ethyl]-2-methylphenol?
The InChIKey is JNRMTEFHITXHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-4-19-6-8-22(9-7-19)17-27(24-25-15-20(5-2)16-26-24)13-12-21-10-11-23(28)18(3)14-21/h6-11,14-16,28H,4-5,12-13,17H2,1-3H3.
What are the key properties of 4-[2-[(4-ethylphenyl)methyl-(5-ethylpyrimidin-2-yl)amino]ethyl]-2-methylphenol?
4-[2-[(4-ethylphenyl)methyl-(5-ethylpyrimidin-2-yl)amino]ethyl]-2-methylphenol has a molecular weight of 375.52 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-ethylphenyl)methyl-(5-ethylpyrimidin-2-yl)amino]ethyl]-2-methylphenol is sourced from PubChem (CID 59643394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).