4-[(4-butylanilino)methyl]-2,6-dimethylphenol

C19H25NO — CID 28932398

IUPAC4-[(4-butylanilino)methyl]-2,6-dimethylphenol
SMILESCCCCc1ccc(NCc2cc(C)c(O)c(C)c2)cc1
InChIInChI=1S/C19H25NO/c1-4-5-6-16-7-9-18(10-8-16)20-13-17-11-14(2)19(21)15(3)12-17/h7-12,20-21H,4-6,13H2,1-3H3
InChIKeyUCFOEGDDAQLVLS-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.96
Rot. Bonds6

About 4-[(4-butylanilino)methyl]-2,6-dimethylphenol

4-[(4-butylanilino)methyl]-2,6-dimethylphenol (PubChem CID 28932398) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[(4-butylanilino)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(4-butylanilino)methyl]-2,6-dimethylphenol
PubChem CID28932398
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-[(4-butylanilino)methyl]-2,6-dimethylphenol
SMILESCCCCc1ccc(NCc2cc(C)c(O)c(C)c2)cc1
InChIInChI=1S/C19H25NO/c1-4-5-6-16-7-9-18(10-8-16)20-13-17-11-14(2)19(21)15(3)12-17/h7-12,20-21H,4-6,13H2,1-3H3
InChIKeyUCFOEGDDAQLVLS-UHFFFAOYSA-N
XLogP4.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(4-butylanilino)methyl]-2,6-dimethylphenol 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-[(4-ethylanilino)methyl]-2,6-dimethylphenol
CID 28932346
4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline
CID 60685123
2,6-dimethyl-4-[(4-methylanilino)methyl]phenol
CID 28932362
4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102880730
2-[(4-butylanilino)methyl]-4-methylphenol
CID 63326661
4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine
CID 59230081
2,6-dimethyl-4-pentylphenol
CID 22625507
4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749224
2,6-dimethyl-4-[(4-propan-2-yloxyanilino)methyl]phenol
CID 28969409
2,6-dimethyl-4-octadecylphenol
CID 66619575
4-hexatriacontyl-2,6-dimethylphenol
CID 71335537
4-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol
CID 28932342

Frequently Asked Questions

What is the IUPAC name of 4-[(4-butylanilino)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(4-butylanilino)methyl]-2,6-dimethylphenol (CID 28932398) is 4-[(4-butylanilino)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(4-butylanilino)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(4-butylanilino)methyl]-2,6-dimethylphenol is CCCCc1ccc(NCc2cc(C)c(O)c(C)c2)cc1.
What is the InChIKey of 4-[(4-butylanilino)methyl]-2,6-dimethylphenol?
The InChIKey is UCFOEGDDAQLVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-5-6-16-7-9-18(10-8-16)20-13-17-11-14(2)19(21)15(3)12-17/h7-12,20-21H,4-6,13H2,1-3H3.
What are the key properties of 4-[(4-butylanilino)methyl]-2,6-dimethylphenol?
4-[(4-butylanilino)methyl]-2,6-dimethylphenol has a molecular weight of 283.42 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-butylanilino)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 28932398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).