4-fluoro-3-octylaniline

C14H22FN — CID 70083692

IUPAC4-fluoro-3-octylaniline
SMILESCCCCCCCCc1cc(N)ccc1F
InChIInChI=1S/C14H22FN/c1-2-3-4-5-6-7-8-12-11-13(16)9-10-14(12)15/h9-11H,2-8,16H2,1H3
InChIKeyGEJYCFMCLVHRPC-UHFFFAOYSA-N
MW223.34 g/mol
LogP4.31
Rot. Bonds7

About 4-fluoro-3-octylaniline

4-fluoro-3-octylaniline (PubChem CID 70083692) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-fluoro-3-octylaniline.

Molecular Properties

Compound Name4-fluoro-3-octylaniline
PubChem CID70083692
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name4-fluoro-3-octylaniline
SMILESCCCCCCCCc1cc(N)ccc1F
InChIInChI=1S/C14H22FN/c1-2-3-4-5-6-7-8-12-11-13(16)9-10-14(12)15/h9-11H,2-8,16H2,1H3
InChIKeyGEJYCFMCLVHRPC-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 54.31
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-hexyl-4-iodoaniline
CID 139793962
5-amino-2-nonylphenol
CID 152595596
3-(5-amino-2-hexylphenyl)-4-hexylaniline
CID 69236433
4-fluoro-3-[3-(methylamino)propyl]aniline
CID 84658598
3-methyl-4-octylaniline
CID 139523093
3-chloro-4-hexylaniline
CID 139793989
4-[[4-[6-[4-[(4-amino-2-octylphenyl)methyl]phenyl]hexyl]phenyl]methyl]-3-octylaniline
CID 22920013
4-[[4-[19-[4-[(4-amino-2-octylphenyl)methyl]phenyl]nonadecyl]phenyl]methyl]-3-octylaniline
CID 22920378
4-[[4-[8-[4-[(4-amino-2-octylphenyl)methyl]phenyl]octyl]phenyl]methyl]-3-octylaniline
CID 22919837
4-amino-2-hexadecylbenzoic acid
CID 167455079
4-[[4-[13-[4-[(4-amino-2-heptylphenyl)methyl]phenyl]tridecyl]phenyl]methyl]-3-heptylaniline
CID 22920005
4-[[4-[13-[4-[(4-amino-2-pentylphenyl)methyl]phenyl]tridecyl]phenyl]methyl]-3-pentylaniline
CID 22919135

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-octylaniline?
The IUPAC name of 4-fluoro-3-octylaniline (CID 70083692) is 4-fluoro-3-octylaniline.
What is the SMILES notation for 4-fluoro-3-octylaniline?
The canonical SMILES for 4-fluoro-3-octylaniline is CCCCCCCCc1cc(N)ccc1F.
What is the InChIKey of 4-fluoro-3-octylaniline?
The InChIKey is GEJYCFMCLVHRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-2-3-4-5-6-7-8-12-11-13(16)9-10-14(12)15/h9-11H,2-8,16H2,1H3.
What are the key properties of 4-fluoro-3-octylaniline?
4-fluoro-3-octylaniline has a molecular weight of 223.34 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-octylaniline is sourced from PubChem (CID 70083692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).