4-[2-[hexyl(methyl)amino]ethyl]aniline

C15H26N2 — CID 89126369

IUPAC4-[2-[hexyl(methyl)amino]ethyl]aniline
SMILESCCCCCCN(C)CCc1ccc(N)cc1
InChIInChI=1S/C15H26N2/c1-3-4-5-6-12-17(2)13-11-14-7-9-15(16)10-8-14/h7-10H,3-6,11-13,16H2,1-2H3
InChIKeyVQHBOTKEOXABHH-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.32
Rot. Bonds8

About 4-[2-[hexyl(methyl)amino]ethyl]aniline

4-[2-[hexyl(methyl)amino]ethyl]aniline (PubChem CID 89126369) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-[2-[hexyl(methyl)amino]ethyl]aniline.

Molecular Properties

Compound Name4-[2-[hexyl(methyl)amino]ethyl]aniline
PubChem CID89126369
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-[2-[hexyl(methyl)amino]ethyl]aniline
SMILESCCCCCCN(C)CCc1ccc(N)cc1
InChIInChI=1S/C15H26N2/c1-3-4-5-6-12-17(2)13-11-14-7-9-15(16)10-8-14/h7-10H,3-6,11-13,16H2,1-2H3
InChIKeyVQHBOTKEOXABHH-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

4-[3-[methyl(pentyl)amino]propyl]aniline
CID 113290597
4-dodecylaniline;nonadecane
CID 155059812
4-hexadecylaniline
CID 571906
N-[2-(4-ethoxyphenyl)ethyl]-N-methylpentan-1-amine
CID 173290456
4-[2-(4-pentylphenyl)ethyl]aniline
CID 130451163
4-[(4-octadecylphenyl)methyl]aniline
CID 67687267
4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline
CID 115212571
N-methyl-N-(3-phenylpropyl)decan-1-amine;hydrochloride
CID 174059369
4-[[ethyl(octyl)amino]methyl]aniline
CID 43458886
4-[[decyl(ethyl)amino]methyl]aniline
CID 63532932
4-[[hexyl(propyl)amino]methyl]aniline
CID 43383965
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995

Frequently Asked Questions

What is the IUPAC name of 4-[2-[hexyl(methyl)amino]ethyl]aniline?
The IUPAC name of 4-[2-[hexyl(methyl)amino]ethyl]aniline (CID 89126369) is 4-[2-[hexyl(methyl)amino]ethyl]aniline.
What is the SMILES notation for 4-[2-[hexyl(methyl)amino]ethyl]aniline?
The canonical SMILES for 4-[2-[hexyl(methyl)amino]ethyl]aniline is CCCCCCN(C)CCc1ccc(N)cc1.
What is the InChIKey of 4-[2-[hexyl(methyl)amino]ethyl]aniline?
The InChIKey is VQHBOTKEOXABHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-3-4-5-6-12-17(2)13-11-14-7-9-15(16)10-8-14/h7-10H,3-6,11-13,16H2,1-2H3.
What are the key properties of 4-[2-[hexyl(methyl)amino]ethyl]aniline?
4-[2-[hexyl(methyl)amino]ethyl]aniline has a molecular weight of 234.39 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[hexyl(methyl)amino]ethyl]aniline is sourced from PubChem (CID 89126369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).