[3-(4-butyl-N-(4-butylphenyl)anilino)-5-(hydroxymethyl)phenyl]methanol

C28H35NO2 — CID 86064892

IUPAC[3-(4-butyl-N-(4-butylphenyl)anilino)-5-(hydroxymethyl)phenyl]methanol
SMILESCCCCc1ccc(N(c2ccc(CCCC)cc2)c2cc(CO)cc(CO)c2)cc1
InChIInChI=1S/C28H35NO2/c1-3-5-7-22-9-13-26(14-10-22)29(27-15-11-23(12-16-27)8-6-4-2)28-18-24(20-30)17-25(19-28)21-31/h9-19,30-31H,3-8,20-21H2,1-2H3
InChIKeyGPEPWAWIESYYPP-UHFFFAOYSA-N
MW417.59 g/mol
LogP6.83
Rot. Bonds11

About [3-(4-butyl-N-(4-butylphenyl)anilino)-5-(hydroxymethyl)phenyl]methanol

[3-(4-butyl-N-(4-butylphenyl)anilino)-5-(hydroxymethyl)phenyl]methanol (PubChem CID 86064892) has the molecular formula C28H35NO2 and a molecular weight of 417.59 g/mol. Its IUPAC name is [3-(4-butyl-N-(4-butylphenyl)anilino)-5-(hydroxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(4-butyl-N-(4-butylphenyl)anilino)-5-(hydroxymethyl)phenyl]methanol
PubChem CID86064892
Molecular FormulaC28H35NO2
Molecular Weight417.59 g/mol
Exact Mass417.27
IUPAC Name[3-(4-butyl-N-(4-butylphenyl)anilino)-5-(hydroxymethyl)phenyl]methanol
SMILESCCCCc1ccc(N(c2ccc(CCCC)cc2)c2cc(CO)cc(CO)c2)cc1
InChIInChI=1S/C28H35NO2/c1-3-5-7-22-9-13-26(14-10-22)29(27-15-11-23(12-16-27)8-6-4-2)28-18-24(20-30)17-25(19-28)21-31/h9-19,30-31H,3-8,20-21H2,1-2H3
InChIKeyGPEPWAWIESYYPP-UHFFFAOYSA-N
XLogP6.83
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.59
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(4-butyl-N-(4-butylphenyl)anilino)-5-(hydroxymethyl)phenyl]methanol 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

1-N,4-N-bis(3,5-dibutylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 19842982
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]boronic acid
CID 86093540
CID 89078606
CID 89078606
4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine
CID 163431487
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
4-hexyl-N,N-diphenylaniline
CID 20525221
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-octadecyl-N,N-diphenylaniline
CID 162035815
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
N-(4-butylphenyl)-3-ethyl-N-(4-fluorophenyl)aniline
CID 101074585
4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 163976726

Frequently Asked Questions

What is the IUPAC name of [3-(4-butyl-N-(4-butylphenyl)anilino)-5-(hydroxymethyl)phenyl]methanol?
The IUPAC name of [3-(4-butyl-N-(4-butylphenyl)anilino)-5-(hydroxymethyl)phenyl]methanol (CID 86064892) is [3-(4-butyl-N-(4-butylphenyl)anilino)-5-(hydroxymethyl)phenyl]methanol.
What is the SMILES notation for [3-(4-butyl-N-(4-butylphenyl)anilino)-5-(hydroxymethyl)phenyl]methanol?
The canonical SMILES for [3-(4-butyl-N-(4-butylphenyl)anilino)-5-(hydroxymethyl)phenyl]methanol is CCCCc1ccc(N(c2ccc(CCCC)cc2)c2cc(CO)cc(CO)c2)cc1.
What is the InChIKey of [3-(4-butyl-N-(4-butylphenyl)anilino)-5-(hydroxymethyl)phenyl]methanol?
The InChIKey is GPEPWAWIESYYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35NO2/c1-3-5-7-22-9-13-26(14-10-22)29(27-15-11-23(12-16-27)8-6-4-2)28-18-24(20-30)17-25(19-28)21-31/h9-19,30-31H,3-8,20-21H2,1-2H3.
What are the key properties of [3-(4-butyl-N-(4-butylphenyl)anilino)-5-(hydroxymethyl)phenyl]methanol?
[3-(4-butyl-N-(4-butylphenyl)anilino)-5-(hydroxymethyl)phenyl]methanol has a molecular weight of 417.59 g/mol, XLogP of 6.83, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-butyl-N-(4-butylphenyl)anilino)-5-(hydroxymethyl)phenyl]methanol is sourced from PubChem (CID 86064892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).