4-(4-aminophenyl)-2-pentylaniline

C17H22N2 — CID 66665137

IUPAC4-(4-aminophenyl)-2-pentylaniline
SMILESCCCCCc1cc(-c2ccc(N)cc2)ccc1N
InChIInChI=1S/C17H22N2/c1-2-3-4-5-15-12-14(8-11-17(15)19)13-6-9-16(18)10-7-13/h6-12H,2-5,18-19H2,1H3
InChIKeyUNGDALMYFJRWRA-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.25
Rot. Bonds5

About 4-(4-aminophenyl)-2-pentylaniline

4-(4-aminophenyl)-2-pentylaniline (PubChem CID 66665137) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2-pentylaniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-2-pentylaniline
PubChem CID66665137
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-(4-aminophenyl)-2-pentylaniline
SMILESCCCCCc1cc(-c2ccc(N)cc2)ccc1N
InChIInChI=1S/C17H22N2/c1-2-3-4-5-15-12-14(8-11-17(15)19)13-6-9-16(18)10-7-13/h6-12H,2-5,18-19H2,1H3
InChIKeyUNGDALMYFJRWRA-UHFFFAOYSA-N
XLogP4.25
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.25
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

4-(4-aminophenyl)-2-propylaniline
CID 67866626
2-butyl-4-phenylaniline
CID 24835781
2-dodecyl-4-iodoaniline
CID 139793987
4-fluoro-2-heptylaniline
CID 67191637
3-chloro-4-hexylaniline
CID 139793989
4-[[4-[12-[4-[(4-amino-3-pentylphenyl)methyl]phenyl]dodecyl]phenyl]methyl]-2-pentylaniline
CID 22919570
3-undecylnaphthalene-2,6-diamine
CID 150754371
4-[[4-[8-[4-[(4-amino-3-octylphenyl)methyl]phenyl]octyl]phenyl]methyl]-2-octylaniline
CID 22920280
4-[[4-[7-[4-[(4-amino-3-hexylphenyl)methyl]phenyl]heptyl]phenyl]methyl]-2-hexylaniline
CID 22921018
4-[[4-[11-[4-[(4-amino-3-heptylphenyl)methyl]phenyl]undecyl]phenyl]methyl]-2-heptylaniline
CID 22921098
4-bromo-2-butylaniline
CID 23053370
3-(5-amino-2-hexylphenyl)-4-hexylaniline
CID 69236433

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-2-pentylaniline?
The IUPAC name of 4-(4-aminophenyl)-2-pentylaniline (CID 66665137) is 4-(4-aminophenyl)-2-pentylaniline.
What is the SMILES notation for 4-(4-aminophenyl)-2-pentylaniline?
The canonical SMILES for 4-(4-aminophenyl)-2-pentylaniline is CCCCCc1cc(-c2ccc(N)cc2)ccc1N.
What is the InChIKey of 4-(4-aminophenyl)-2-pentylaniline?
The InChIKey is UNGDALMYFJRWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-3-4-5-15-12-14(8-11-17(15)19)13-6-9-16(18)10-7-13/h6-12H,2-5,18-19H2,1H3.
What are the key properties of 4-(4-aminophenyl)-2-pentylaniline?
4-(4-aminophenyl)-2-pentylaniline has a molecular weight of 254.38 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2-pentylaniline is sourced from PubChem (CID 66665137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).