3-(5-amino-2-hexylphenyl)-4-hexylaniline

C24H36N2 — CID 69236433

IUPAC3-(5-amino-2-hexylphenyl)-4-hexylaniline
SMILESCCCCCCc1ccc(N)cc1-c1cc(N)ccc1CCCCCC
InChIInChI=1S/C24H36N2/c1-3-5-7-9-11-19-13-15-21(25)17-23(19)24-18-22(26)16-14-20(24)12-10-8-6-4-2/h13-18H,3-12,25-26H2,1-2H3
InChIKeyFOSIKFYWDYROCY-UHFFFAOYSA-N
MW352.57 g/mol
LogP6.76
Rot. Bonds11

About 3-(5-amino-2-hexylphenyl)-4-hexylaniline

3-(5-amino-2-hexylphenyl)-4-hexylaniline (PubChem CID 69236433) has the molecular formula C24H36N2 and a molecular weight of 352.57 g/mol. Its IUPAC name is 3-(5-amino-2-hexylphenyl)-4-hexylaniline.

Molecular Properties

Compound Name3-(5-amino-2-hexylphenyl)-4-hexylaniline
PubChem CID69236433
Molecular FormulaC24H36N2
Molecular Weight352.57 g/mol
Exact Mass352.29
IUPAC Name3-(5-amino-2-hexylphenyl)-4-hexylaniline
SMILESCCCCCCc1ccc(N)cc1-c1cc(N)ccc1CCCCCC
InChIInChI=1S/C24H36N2/c1-3-5-7-9-11-19-13-15-21(25)17-23(19)24-18-22(26)16-14-20(24)12-10-8-6-4-2/h13-18H,3-12,25-26H2,1-2H3
InChIKeyFOSIKFYWDYROCY-UHFFFAOYSA-N
XLogP6.76
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.57
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-octylaniline
CID 139523093
3-chloro-4-hexylaniline
CID 139793989
5-amino-2-nonylphenol
CID 152595596
3-hexyl-4-iodoaniline
CID 139793962
4-fluoro-3-octylaniline
CID 70083692
4-[[4-[19-[4-[(4-amino-2-octylphenyl)methyl]phenyl]nonadecyl]phenyl]methyl]-3-octylaniline
CID 22920378
4-[[4-[8-[4-[(4-amino-2-octylphenyl)methyl]phenyl]octyl]phenyl]methyl]-3-octylaniline
CID 22919837
4-[[4-[13-[4-[(4-amino-2-heptylphenyl)methyl]phenyl]tridecyl]phenyl]methyl]-3-heptylaniline
CID 22920005
4-[[4-[13-[4-[(4-amino-2-pentylphenyl)methyl]phenyl]tridecyl]phenyl]methyl]-3-pentylaniline
CID 22919135
4-[[4-[6-[4-[(4-amino-2-octylphenyl)methyl]phenyl]hexyl]phenyl]methyl]-3-octylaniline
CID 22920013
4-[[4-[7-[4-[(4-amino-2-hexylphenyl)methyl]phenyl]heptyl]phenyl]methyl]-3-hexylaniline
CID 22919699
4-[[4-[3-[4-[(4-amino-2-heptylphenyl)methyl]phenyl]propyl]phenyl]methyl]-3-heptylaniline
CID 22921088

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-hexylphenyl)-4-hexylaniline?
The IUPAC name of 3-(5-amino-2-hexylphenyl)-4-hexylaniline (CID 69236433) is 3-(5-amino-2-hexylphenyl)-4-hexylaniline.
What is the SMILES notation for 3-(5-amino-2-hexylphenyl)-4-hexylaniline?
The canonical SMILES for 3-(5-amino-2-hexylphenyl)-4-hexylaniline is CCCCCCc1ccc(N)cc1-c1cc(N)ccc1CCCCCC.
What is the InChIKey of 3-(5-amino-2-hexylphenyl)-4-hexylaniline?
The InChIKey is FOSIKFYWDYROCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2/c1-3-5-7-9-11-19-13-15-21(25)17-23(19)24-18-22(26)16-14-20(24)12-10-8-6-4-2/h13-18H,3-12,25-26H2,1-2H3.
What are the key properties of 3-(5-amino-2-hexylphenyl)-4-hexylaniline?
3-(5-amino-2-hexylphenyl)-4-hexylaniline has a molecular weight of 352.57 g/mol, XLogP of 6.76, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-hexylphenyl)-4-hexylaniline is sourced from PubChem (CID 69236433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).