3-methyl-4-octylaniline

C15H25N — CID 139523093

IUPAC3-methyl-4-octylaniline
SMILESCCCCCCCCc1ccc(N)cc1C
InChIInChI=1S/C15H25N/c1-3-4-5-6-7-8-9-14-10-11-15(16)12-13(14)2/h10-12H,3-9,16H2,1-2H3
InChIKeyRCBYIOBGSFJQOD-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.48
Rot. Bonds7

About 3-methyl-4-octylaniline

3-methyl-4-octylaniline (PubChem CID 139523093) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-methyl-4-octylaniline.

Molecular Properties

Compound Name3-methyl-4-octylaniline
PubChem CID139523093
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3-methyl-4-octylaniline
SMILESCCCCCCCCc1ccc(N)cc1C
InChIInChI=1S/C15H25N/c1-3-4-5-6-7-8-9-14-10-11-15(16)12-13(14)2/h10-12H,3-9,16H2,1-2H3
InChIKeyRCBYIOBGSFJQOD-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.48
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'}

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Related Compounds

3-(5-amino-2-hexylphenyl)-4-hexylaniline
CID 69236433
3-chloro-4-hexylaniline
CID 139793989
5-amino-2-nonylphenol
CID 152595596
3-methyl-4-octylphenol
CID 67863636
4-[[4-[17-[4-[(4-amino-2-methylphenyl)methyl]phenyl]heptadecyl]phenyl]methyl]-3-methylaniline
CID 18976897
4-fluoro-3-octylaniline
CID 70083692
3-hexyl-4-iodoaniline
CID 139793962
4-ethyl-2-methyl-1-pentylbenzene
CID 143596455
4-fluoro-2-methyl-1-pentylbenzene
CID 57094925
4-[[4-[6-[4-[(4-aminophenyl)methyl]-2-methylphenyl]hexyl]-3-methylphenyl]methyl]aniline
CID 18976706
4-(chloromethyl)-1-dodecyl-2-methylbenzene
CID 102093767
4-[[4-[13-[4-[(4-aminophenyl)methyl]-2-methylphenyl]tridecyl]-3-methylphenyl]methyl]aniline
CID 18976923

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-octylaniline?
The IUPAC name of 3-methyl-4-octylaniline (CID 139523093) is 3-methyl-4-octylaniline.
What is the SMILES notation for 3-methyl-4-octylaniline?
The canonical SMILES for 3-methyl-4-octylaniline is CCCCCCCCc1ccc(N)cc1C.
What is the InChIKey of 3-methyl-4-octylaniline?
The InChIKey is RCBYIOBGSFJQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-3-4-5-6-7-8-9-14-10-11-15(16)12-13(14)2/h10-12H,3-9,16H2,1-2H3.
What are the key properties of 3-methyl-4-octylaniline?
3-methyl-4-octylaniline has a molecular weight of 219.37 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-octylaniline is sourced from PubChem (CID 139523093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).