4-[2-amino-3-(3,5-dibutyl-4-hydroxyphenyl)propyl]-2,6-dibutylphenol

C31H49NO2 — CID 67566752

IUPAC4-[2-amino-3-(3,5-dibutyl-4-hydroxyphenyl)propyl]-2,6-dibutylphenol
SMILESCCCCc1cc(CC(N)Cc2cc(CCCC)c(O)c(CCCC)c2)cc(CCCC)c1O
InChIInChI=1S/C31H49NO2/c1-5-9-13-25-17-23(18-26(30(25)33)14-10-6-2)21-29(32)22-24-19-27(15-11-7-3)31(34)28(20-24)16-12-8-4/h17-20,29,33-34H,5-16,21-22,32H2,1-4H3
InChIKeyDOIMWTRAMCQLRS-UHFFFAOYSA-N
MW467.74 g/mol
LogP7.58
Rot. Bonds16

About 4-[2-amino-3-(3,5-dibutyl-4-hydroxyphenyl)propyl]-2,6-dibutylphenol

4-[2-amino-3-(3,5-dibutyl-4-hydroxyphenyl)propyl]-2,6-dibutylphenol (PubChem CID 67566752) has the molecular formula C31H49NO2 and a molecular weight of 467.74 g/mol. Its IUPAC name is 4-[2-amino-3-(3,5-dibutyl-4-hydroxyphenyl)propyl]-2,6-dibutylphenol.

Molecular Properties

Compound Name4-[2-amino-3-(3,5-dibutyl-4-hydroxyphenyl)propyl]-2,6-dibutylphenol
PubChem CID67566752
Molecular FormulaC31H49NO2
Molecular Weight467.74 g/mol
Exact Mass467.38
IUPAC Name4-[2-amino-3-(3,5-dibutyl-4-hydroxyphenyl)propyl]-2,6-dibutylphenol
SMILESCCCCc1cc(CC(N)Cc2cc(CCCC)c(O)c(CCCC)c2)cc(CCCC)c1O
InChIInChI=1S/C31H49NO2/c1-5-9-13-25-17-23(18-26(30(25)33)14-10-6-2)21-29(32)22-24-19-27(15-11-7-3)31(34)28(20-24)16-12-8-4/h17-20,29,33-34H,5-16,21-22,32H2,1-4H3
InChIKeyDOIMWTRAMCQLRS-UHFFFAOYSA-N
XLogP7.58
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.74
LogP ≤ 57.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[2-amino-3-(3,5-dibutyl-4-hydroxyphenyl)propyl]-2,6-dibutylphenol 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-[2-amino-3-(3,5-dibutyl-4-hydroxyphenyl)propyl]-2,6-dibutylphenol?
The IUPAC name of 4-[2-amino-3-(3,5-dibutyl-4-hydroxyphenyl)propyl]-2,6-dibutylphenol (CID 67566752) is 4-[2-amino-3-(3,5-dibutyl-4-hydroxyphenyl)propyl]-2,6-dibutylphenol.
What is the SMILES notation for 4-[2-amino-3-(3,5-dibutyl-4-hydroxyphenyl)propyl]-2,6-dibutylphenol?
The canonical SMILES for 4-[2-amino-3-(3,5-dibutyl-4-hydroxyphenyl)propyl]-2,6-dibutylphenol is CCCCc1cc(CC(N)Cc2cc(CCCC)c(O)c(CCCC)c2)cc(CCCC)c1O.
What is the InChIKey of 4-[2-amino-3-(3,5-dibutyl-4-hydroxyphenyl)propyl]-2,6-dibutylphenol?
The InChIKey is DOIMWTRAMCQLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H49NO2/c1-5-9-13-25-17-23(18-26(30(25)33)14-10-6-2)21-29(32)22-24-19-27(15-11-7-3)31(34)28(20-24)16-12-8-4/h17-20,29,33-34H,5-16,21-22,32H2,1-4H3.
What are the key properties of 4-[2-amino-3-(3,5-dibutyl-4-hydroxyphenyl)propyl]-2,6-dibutylphenol?
4-[2-amino-3-(3,5-dibutyl-4-hydroxyphenyl)propyl]-2,6-dibutylphenol has a molecular weight of 467.74 g/mol, XLogP of 7.58, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-3-(3,5-dibutyl-4-hydroxyphenyl)propyl]-2,6-dibutylphenol is sourced from PubChem (CID 67566752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).