5-ethyl-2-hexylaniline

C14H23N — CID 22065589

IUPAC5-ethyl-2-hexylaniline
SMILESCCCCCCc1ccc(CC)cc1N
InChIInChI=1S/C14H23N/c1-3-5-6-7-8-13-10-9-12(4-2)11-14(13)15/h9-11H,3-8,15H2,1-2H3
InChIKeySDLWOXRMKUQVEJ-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.95
Rot. Bonds6

About 5-ethyl-2-hexylaniline

5-ethyl-2-hexylaniline (PubChem CID 22065589) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 5-ethyl-2-hexylaniline.

Molecular Properties

Compound Name5-ethyl-2-hexylaniline
PubChem CID22065589
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name5-ethyl-2-hexylaniline
SMILESCCCCCCc1ccc(CC)cc1N
InChIInChI=1S/C14H23N/c1-3-5-6-7-8-13-10-9-12(4-2)11-14(13)15/h9-11H,3-8,15H2,1-2H3
InChIKeySDLWOXRMKUQVEJ-UHFFFAOYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-ethyl-2-hexylaniline 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

2-(3-amino-4-pentylphenyl)acetic acid
CID 123348759
5-chloro-2-dodecylaniline
CID 139793979
4-ethyl-2-methyl-1-pentylbenzene
CID 143596455
4-ethyl-2-hexyl-1-methylbenzene
CID 54443410
4-decyl-6-octylnaphthalen-1-amine
CID 139692308
2-tetradecylaniline
CID 22218918
1-ethyl-4-octacosylbenzene
CID 175218304
ethyl 3-amino-4-pentylbenzoate
CID 86672311
4-[[4-[12-[4-[(4-amino-3-pentylphenyl)methyl]phenyl]dodecyl]phenyl]methyl]-2-pentylaniline
CID 22919570
4-[[4-[6-[4-[(4-aminophenyl)methyl]-2-hexylphenyl]hexyl]-3-hexylphenyl]methyl]aniline
CID 22920742
4-[[4-[11-[4-[(4-amino-3-heptylphenyl)methyl]phenyl]undecyl]phenyl]methyl]-2-heptylaniline
CID 22921098
4-[[4-[8-[4-[(4-amino-3-octylphenyl)methyl]phenyl]octyl]phenyl]methyl]-2-octylaniline
CID 22920280

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-hexylaniline?
The IUPAC name of 5-ethyl-2-hexylaniline (CID 22065589) is 5-ethyl-2-hexylaniline.
What is the SMILES notation for 5-ethyl-2-hexylaniline?
The canonical SMILES for 5-ethyl-2-hexylaniline is CCCCCCc1ccc(CC)cc1N.
What is the InChIKey of 5-ethyl-2-hexylaniline?
The InChIKey is SDLWOXRMKUQVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-3-5-6-7-8-13-10-9-12(4-2)11-14(13)15/h9-11H,3-8,15H2,1-2H3.
What are the key properties of 5-ethyl-2-hexylaniline?
5-ethyl-2-hexylaniline has a molecular weight of 205.34 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-hexylaniline is sourced from PubChem (CID 22065589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).