4-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol

C19H25NO — CID 67041844

IUPAC4-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol
SMILESCc1cc(CN)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C19H25NO/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(11-20)8-14(18)4/h5-9,12,21H,10-11,20H2,1-4H3
InChIKeyYWGYUMVGVQYQEJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.18
Rot. Bonds4

About 4-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol

4-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol (PubChem CID 67041844) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol.

Molecular Properties

Compound Name4-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol
PubChem CID67041844
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol
SMILESCc1cc(CN)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C19H25NO/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(11-20)8-14(18)4/h5-9,12,21H,10-11,20H2,1-4H3
InChIKeyYWGYUMVGVQYQEJ-UHFFFAOYSA-N
XLogP4.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol 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 4-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol?
The IUPAC name of 4-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol (CID 67041844) is 4-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol.
What is the SMILES notation for 4-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol?
The canonical SMILES for 4-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol is Cc1cc(CN)cc(C)c1Cc1ccc(O)c(C(C)C)c1.
What is the InChIKey of 4-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol?
The InChIKey is YWGYUMVGVQYQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(11-20)8-14(18)4/h5-9,12,21H,10-11,20H2,1-4H3.
What are the key properties of 4-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol?
4-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol has a molecular weight of 283.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol is sourced from PubChem (CID 67041844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).