3-fluoro-2-methyl-N-octylaniline

C15H24FN — CID 55191614

IUPAC3-fluoro-2-methyl-N-octylaniline
SMILESCCCCCCCCNc1cccc(F)c1C
InChIInChI=1S/C15H24FN/c1-3-4-5-6-7-8-12-17-15-11-9-10-14(16)13(15)2/h9-11,17H,3-8,12H2,1-2H3
InChIKeyZNEQSXTWQRWZNI-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.91
Rot. Bonds8

About 3-fluoro-2-methyl-N-octylaniline

3-fluoro-2-methyl-N-octylaniline (PubChem CID 55191614) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 3-fluoro-2-methyl-N-octylaniline.

Molecular Properties

Compound Name3-fluoro-2-methyl-N-octylaniline
PubChem CID55191614
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name3-fluoro-2-methyl-N-octylaniline
SMILESCCCCCCCCNc1cccc(F)c1C
InChIInChI=1S/C15H24FN/c1-3-4-5-6-7-8-12-17-15-11-9-10-14(16)13(15)2/h9-11,17H,3-8,12H2,1-2H3
InChIKeyZNEQSXTWQRWZNI-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.91
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

3-chloro-2-methyl-N-octylaniline
CID 43129192
2-fluoro-6-(octylamino)benzonitrile
CID 43580179
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
3-fluoro-2-methyl-N-pent-4-ynylaniline
CID 115872054
3-(hexylamino)-2-methylbenzenesulfonamide
CID 54866925
3-chloro-2-fluoro-N-octylaniline
CID 43129398
1-N-(4-decoxybutyl)-3-fluorobenzene-1,2-diamine
CID 150244953
1-N-butyl-3-fluorobenzene-1,2-diamine
CID 60783282
2-methyl-3-nitro-N-octylaniline
CID 43719582
3-(heptylamino)-2-methylbenzamide
CID 43694125
2-fluoro-6-(pentylamino)benzenecarbothioamide
CID 79513321
N-decyl-2-fluoro-3-(trifluoromethyl)aniline
CID 151081147

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-N-octylaniline?
The IUPAC name of 3-fluoro-2-methyl-N-octylaniline (CID 55191614) is 3-fluoro-2-methyl-N-octylaniline.
What is the SMILES notation for 3-fluoro-2-methyl-N-octylaniline?
The canonical SMILES for 3-fluoro-2-methyl-N-octylaniline is CCCCCCCCNc1cccc(F)c1C.
What is the InChIKey of 3-fluoro-2-methyl-N-octylaniline?
The InChIKey is ZNEQSXTWQRWZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-3-4-5-6-7-8-12-17-15-11-9-10-14(16)13(15)2/h9-11,17H,3-8,12H2,1-2H3.
What are the key properties of 3-fluoro-2-methyl-N-octylaniline?
3-fluoro-2-methyl-N-octylaniline has a molecular weight of 237.36 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-N-octylaniline is sourced from PubChem (CID 55191614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).