4-(2-hexyldecyl)aniline

C22H39N — CID 68751283

IUPAC4-(2-hexyldecyl)aniline
SMILESCCCCCCCCC(CCCCCC)Cc1ccc(N)cc1
InChIInChI=1S/C22H39N/c1-3-5-7-9-10-12-14-20(13-11-8-6-4-2)19-21-15-17-22(23)18-16-21/h15-18,20H,3-14,19,23H2,1-2H3
InChIKeyRPNDVNFIVZPZHH-UHFFFAOYSA-N
MW317.56 g/mol
LogP7.15
Rot. Bonds14

About 4-(2-hexyldecyl)aniline

4-(2-hexyldecyl)aniline (PubChem CID 68751283) has the molecular formula C22H39N and a molecular weight of 317.56 g/mol. Its IUPAC name is 4-(2-hexyldecyl)aniline.

Molecular Properties

Compound Name4-(2-hexyldecyl)aniline
PubChem CID68751283
Molecular FormulaC22H39N
Molecular Weight317.56 g/mol
Exact Mass317.31
IUPAC Name4-(2-hexyldecyl)aniline
SMILESCCCCCCCCC(CCCCCC)Cc1ccc(N)cc1
InChIInChI=1S/C22H39N/c1-3-5-7-9-10-12-14-20(13-11-8-6-4-2)19-21-15-17-22(23)18-16-21/h15-18,20H,3-14,19,23H2,1-2H3
InChIKeyRPNDVNFIVZPZHH-UHFFFAOYSA-N
XLogP7.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.56
LogP ≤ 57.15
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'}

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Related Compounds

4-[1-[4-[2-[[4-[1-(4-aminophenyl)tridecyl]phenyl]methyl]heptyl]phenyl]tridecyl]aniline
CID 22920012
4-[1-[4-[2-[[4-[1-(4-aminophenyl)dodecyl]phenyl]methyl]nonyl]phenyl]dodecyl]aniline
CID 22920744
4-[1-[4-[2-[[4-[1-(4-aminophenyl)heptyl]phenyl]methyl]tridecyl]phenyl]heptyl]aniline
CID 22919815
4-[1-[4-[2-[[4-[1-(4-aminophenyl)dodecyl]phenyl]methyl]decyl]phenyl]dodecyl]aniline
CID 22919630
4-[1-[4-[2-[[4-[1-(4-aminophenyl)nonyl]phenyl]methyl]dodecyl]phenyl]nonyl]aniline
CID 22919067
4-[1-[4-[2-[[4-[1-(4-aminophenyl)dodecyl]phenyl]methyl]hexyl]phenyl]dodecyl]aniline
CID 22919310
4-(2-butyltetradecyl)phenol
CID 70630098
1-(2-decyltetradecyl)-4-[2-[4-(2-decyltetradecyl)phenyl]ethynyl]benzene
CID 71404252
4-[1-[4-[2-[[4-[1-(4-aminophenyl)ethyl]phenyl]methyl]hexyl]phenyl]ethyl]aniline
CID 22920141
4-[[4-[2-[[4-[(4-amino-2-methylphenyl)methyl]phenyl]methyl]octyl]phenyl]methyl]-3-methylaniline
CID 18976684
4-(2-butylheptyl)phenol
CID 118370129
1-chloro-4-[2-(chloromethyl)octyl]benzene
CID 66034614

Frequently Asked Questions

What is the IUPAC name of 4-(2-hexyldecyl)aniline?
The IUPAC name of 4-(2-hexyldecyl)aniline (CID 68751283) is 4-(2-hexyldecyl)aniline.
What is the SMILES notation for 4-(2-hexyldecyl)aniline?
The canonical SMILES for 4-(2-hexyldecyl)aniline is CCCCCCCCC(CCCCCC)Cc1ccc(N)cc1.
What is the InChIKey of 4-(2-hexyldecyl)aniline?
The InChIKey is RPNDVNFIVZPZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N/c1-3-5-7-9-10-12-14-20(13-11-8-6-4-2)19-21-15-17-22(23)18-16-21/h15-18,20H,3-14,19,23H2,1-2H3.
What are the key properties of 4-(2-hexyldecyl)aniline?
4-(2-hexyldecyl)aniline has a molecular weight of 317.56 g/mol, XLogP of 7.15, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hexyldecyl)aniline is sourced from PubChem (CID 68751283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).