4-[2-(4-pentylphenyl)ethyl]aniline

C19H25N — CID 130451163

IUPAC4-[2-(4-pentylphenyl)ethyl]aniline
SMILESCCCCCc1ccc(CCc2ccc(N)cc2)cc1
InChIInChI=1S/C19H25N/c1-2-3-4-5-16-6-8-17(9-7-16)10-11-18-12-14-19(20)15-13-18/h6-9,12-15H,2-5,10-11,20H2,1H3
InChIKeyKXTBANYJEFSHFU-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.79
Rot. Bonds7

About 4-[2-(4-pentylphenyl)ethyl]aniline

4-[2-(4-pentylphenyl)ethyl]aniline (PubChem CID 130451163) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-[2-(4-pentylphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-[2-(4-pentylphenyl)ethyl]aniline
PubChem CID130451163
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name4-[2-(4-pentylphenyl)ethyl]aniline
SMILESCCCCCc1ccc(CCc2ccc(N)cc2)cc1
InChIInChI=1S/C19H25N/c1-2-3-4-5-16-6-8-17(9-7-16)10-11-18-12-14-19(20)15-13-18/h6-9,12-15H,2-5,10-11,20H2,1H3
InChIKeyKXTBANYJEFSHFU-UHFFFAOYSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[2-(4-pentylphenyl)ethyl]aniline 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-dodecylaniline;nonadecane
CID 155059812
4-hexadecylaniline
CID 571906
4-[(4-octadecylphenyl)methyl]aniline
CID 67687267
buta-1,3-diene;ethane;4-octylaniline
CID 143848294
4-[(4-dodecylphenyl)diazenyl]aniline
CID 142720328
4-[3-[methyl(pentyl)amino]propyl]aniline
CID 113290597
4-[1-[4-[14-[4-[1-(4-aminophenyl)dodecyl]phenyl]tetradecyl]phenyl]dodecyl]aniline
CID 22921067
4-[1-[4-[12-[4-[1-(4-aminophenyl)decyl]phenyl]dodecyl]phenyl]decyl]aniline
CID 22921197
4-[1-[4-[9-[4-[1-(4-aminophenyl)undecyl]phenyl]nonyl]phenyl]undecyl]aniline
CID 22919480
4-[1-[4-[5-[4-[1-(4-aminophenyl)hexyl]phenyl]pentyl]phenyl]hexyl]aniline
CID 22920456
4-[1-[4-[13-[4-[1-(4-aminophenyl)nonyl]phenyl]tridecyl]phenyl]nonyl]aniline
CID 22920846
4-[1-[4-[18-[4-[1-(4-aminophenyl)hexyl]phenyl]octadecyl]phenyl]hexyl]aniline
CID 22919132

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-pentylphenyl)ethyl]aniline?
The IUPAC name of 4-[2-(4-pentylphenyl)ethyl]aniline (CID 130451163) is 4-[2-(4-pentylphenyl)ethyl]aniline.
What is the SMILES notation for 4-[2-(4-pentylphenyl)ethyl]aniline?
The canonical SMILES for 4-[2-(4-pentylphenyl)ethyl]aniline is CCCCCc1ccc(CCc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[2-(4-pentylphenyl)ethyl]aniline?
The InChIKey is KXTBANYJEFSHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-2-3-4-5-16-6-8-17(9-7-16)10-11-18-12-14-19(20)15-13-18/h6-9,12-15H,2-5,10-11,20H2,1H3.
What are the key properties of 4-[2-(4-pentylphenyl)ethyl]aniline?
4-[2-(4-pentylphenyl)ethyl]aniline has a molecular weight of 267.42 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-pentylphenyl)ethyl]aniline is sourced from PubChem (CID 130451163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).