4-methyl-N-octylaniline

C15H25N — CID 11816856

IUPAC4-methyl-N-octylaniline
SMILESCCCCCCCCNc1ccc(C)cc1
InChIInChI=1S/C15H25N/c1-3-4-5-6-7-8-13-16-15-11-9-14(2)10-12-15/h9-12,16H,3-8,13H2,1-2H3
InChIKeyHMWJFEAMVBDZGJ-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.77
Rot. Bonds8

About 4-methyl-N-octylaniline

4-methyl-N-octylaniline (PubChem CID 11816856) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 4-methyl-N-octylaniline.

Molecular Properties

Compound Name4-methyl-N-octylaniline
PubChem CID11816856
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name4-methyl-N-octylaniline
SMILESCCCCCCCCNc1ccc(C)cc1
InChIInChI=1S/C15H25N/c1-3-4-5-6-7-8-13-16-15-11-9-14(2)10-12-15/h9-12,16H,3-8,13H2,1-2H3
InChIKeyHMWJFEAMVBDZGJ-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-heptylaniline
CID 43129312
4-methyl-N-(2-octoxyethyl)aniline
CID 55196858
4-[4-(octadecylamino)phenyl]aniline
CID 102249845
N-nonadecylaniline
CID 54509054
N-heptyl-3,4-dimethylaniline
CID 43129292
4-methyl-N-(2-pentoxyethyl)aniline
CID 62584140
N-heptylaniline;hydrate
CID 174886464
N-decyl-4-(trifluoromethyl)aniline
CID 63488784
4-(chloromethyl)-N-hexylaniline
CID 65025803
3-(4-methylanilino)-N-pentylpropanamide
CID 109032122
4-(nonadecylamino)benzaldehyde
CID 20556317
N-decyl-3-fluoro-4-methylaniline
CID 63488478

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-octylaniline?
The IUPAC name of 4-methyl-N-octylaniline (CID 11816856) is 4-methyl-N-octylaniline.
What is the SMILES notation for 4-methyl-N-octylaniline?
The canonical SMILES for 4-methyl-N-octylaniline is CCCCCCCCNc1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-octylaniline?
The InChIKey is HMWJFEAMVBDZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-3-4-5-6-7-8-13-16-15-11-9-14(2)10-12-15/h9-12,16H,3-8,13H2,1-2H3.
What are the key properties of 4-methyl-N-octylaniline?
4-methyl-N-octylaniline has a molecular weight of 219.37 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-octylaniline is sourced from PubChem (CID 11816856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).