3,5-difluoro-N-(1-phenylhexyl)aniline

C18H21F2N — CID 43765021

IUPAC3,5-difluoro-N-(1-phenylhexyl)aniline
SMILESCCCCCC(Nc1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C18H21F2N/c1-2-3-5-10-18(14-8-6-4-7-9-14)21-17-12-15(19)11-16(20)13-17/h4,6-9,11-13,18,21H,2-3,5,10H2,1H3
InChIKeyLORIYAAWTIENAU-UHFFFAOYSA-N
MW289.37 g/mol
LogP5.70
Rot. Bonds7

About 3,5-difluoro-N-(1-phenylhexyl)aniline

3,5-difluoro-N-(1-phenylhexyl)aniline (PubChem CID 43765021) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 3,5-difluoro-N-(1-phenylhexyl)aniline.

Molecular Properties

Compound Name3,5-difluoro-N-(1-phenylhexyl)aniline
PubChem CID43765021
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name3,5-difluoro-N-(1-phenylhexyl)aniline
SMILESCCCCCC(Nc1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C18H21F2N/c1-2-3-5-10-18(14-8-6-4-7-9-14)21-17-12-15(19)11-16(20)13-17/h4,6-9,11-13,18,21H,2-3,5,10H2,1H3
InChIKeyLORIYAAWTIENAU-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.37
LogP ≤ 55.70
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

3,5-difluoro-N-(1-phenylbutyl)aniline
CID 43095450
3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43105701
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
4-methoxy-N-(1-phenylhexyl)aniline
CID 43766012
2-methylsulfanyl-N-(1-phenylhexyl)aniline
CID 43780995
3-(1-phenylhexylamino)benzonitrile
CID 43762515
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
N-pentyl-1-phenyldecan-1-amine
CID 10380274
3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline
CID 43775902
4-bromo-N-(1-phenylpentyl)aniline
CID 43762744
3-(3,5-difluoroanilino)-3-phenylpropanenitrile
CID 62778864
2-fluoro-N-(1-phenylpentyl)aniline
CID 43763346

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(1-phenylhexyl)aniline?
The IUPAC name of 3,5-difluoro-N-(1-phenylhexyl)aniline (CID 43765021) is 3,5-difluoro-N-(1-phenylhexyl)aniline.
What is the SMILES notation for 3,5-difluoro-N-(1-phenylhexyl)aniline?
The canonical SMILES for 3,5-difluoro-N-(1-phenylhexyl)aniline is CCCCCC(Nc1cc(F)cc(F)c1)c1ccccc1.
What is the InChIKey of 3,5-difluoro-N-(1-phenylhexyl)aniline?
The InChIKey is LORIYAAWTIENAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-2-3-5-10-18(14-8-6-4-7-9-14)21-17-12-15(19)11-16(20)13-17/h4,6-9,11-13,18,21H,2-3,5,10H2,1H3.
What are the key properties of 3,5-difluoro-N-(1-phenylhexyl)aniline?
3,5-difluoro-N-(1-phenylhexyl)aniline has a molecular weight of 289.37 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(1-phenylhexyl)aniline is sourced from PubChem (CID 43765021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).