4-fluoro-2-[5-[5-(5-fluoro-2-methylphenyl)pentylamino]pentyl]aniline

C23H32F2N2 — CID 167008995

IUPAC4-fluoro-2-[5-[5-(5-fluoro-2-methylphenyl)pentylamino]pentyl]aniline
SMILESCc1ccc(F)cc1CCCCCNCCCCCc1cc(F)ccc1N
InChIInChI=1S/C23H32F2N2/c1-18-10-11-21(24)16-19(18)8-4-2-6-14-27-15-7-3-5-9-20-17-22(25)12-13-23(20)26/h10-13,16-17,27H,2-9,14-15,26H2,1H3
InChIKeyJKRQARSAPKPEFJ-UHFFFAOYSA-N
MW374.52 g/mol
LogP5.57
Rot. Bonds12

About 4-fluoro-2-[5-[5-(5-fluoro-2-methylphenyl)pentylamino]pentyl]aniline

4-fluoro-2-[5-[5-(5-fluoro-2-methylphenyl)pentylamino]pentyl]aniline (PubChem CID 167008995) has the molecular formula C23H32F2N2 and a molecular weight of 374.52 g/mol. Its IUPAC name is 4-fluoro-2-[5-[5-(5-fluoro-2-methylphenyl)pentylamino]pentyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[5-[5-(5-fluoro-2-methylphenyl)pentylamino]pentyl]aniline
PubChem CID167008995
Molecular FormulaC23H32F2N2
Molecular Weight374.52 g/mol
Exact Mass374.25
IUPAC Name4-fluoro-2-[5-[5-(5-fluoro-2-methylphenyl)pentylamino]pentyl]aniline
SMILESCc1ccc(F)cc1CCCCCNCCCCCc1cc(F)ccc1N
InChIInChI=1S/C23H32F2N2/c1-18-10-11-21(24)16-19(18)8-4-2-6-14-27-15-7-3-5-9-20-17-22(25)12-13-23(20)26/h10-13,16-17,27H,2-9,14-15,26H2,1H3
InChIKeyJKRQARSAPKPEFJ-UHFFFAOYSA-N
XLogP5.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

4-fluoro-2-heptylaniline
CID 67191637
5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine
CID 143286054
4-fluoro-2-(10,10,10-trifluorodecyl)aniline
CID 152556058
4-fluoro-2-propylaniline
CID 23348947
3-(5-fluoro-2-methylphenyl)propanal
CID 64522520
2-(3-aminobutyl)-4-fluoroaniline
CID 105440162
4-fluoro-2-(methoxymethyl)aniline;hydrochloride
CID 75481190
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
6-(5-fluoro-2-methylphenyl)-N,2,2-trimethylhexan-3-amine
CID 105375532
2-(2-ethylsulfanylethyl)-4-fluoroaniline
CID 70246238
5-(2,4-difluoro-5-methylphenyl)-N-propylpentan-1-amine
CID 79731647
4,4,4-trifluoro-N-[(5-fluoro-2-methylphenyl)methyl]butan-1-amine
CID 113356259

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[5-[5-(5-fluoro-2-methylphenyl)pentylamino]pentyl]aniline?
The IUPAC name of 4-fluoro-2-[5-[5-(5-fluoro-2-methylphenyl)pentylamino]pentyl]aniline (CID 167008995) is 4-fluoro-2-[5-[5-(5-fluoro-2-methylphenyl)pentylamino]pentyl]aniline.
What is the SMILES notation for 4-fluoro-2-[5-[5-(5-fluoro-2-methylphenyl)pentylamino]pentyl]aniline?
The canonical SMILES for 4-fluoro-2-[5-[5-(5-fluoro-2-methylphenyl)pentylamino]pentyl]aniline is Cc1ccc(F)cc1CCCCCNCCCCCc1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-[5-[5-(5-fluoro-2-methylphenyl)pentylamino]pentyl]aniline?
The InChIKey is JKRQARSAPKPEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F2N2/c1-18-10-11-21(24)16-19(18)8-4-2-6-14-27-15-7-3-5-9-20-17-22(25)12-13-23(20)26/h10-13,16-17,27H,2-9,14-15,26H2,1H3.
What are the key properties of 4-fluoro-2-[5-[5-(5-fluoro-2-methylphenyl)pentylamino]pentyl]aniline?
4-fluoro-2-[5-[5-(5-fluoro-2-methylphenyl)pentylamino]pentyl]aniline has a molecular weight of 374.52 g/mol, XLogP of 5.57, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[5-[5-(5-fluoro-2-methylphenyl)pentylamino]pentyl]aniline is sourced from PubChem (CID 167008995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).