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

C16H17F2N — CID 43095450

IUPAC3,5-difluoro-N-(1-phenylbutyl)aniline
SMILESCCCC(Nc1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C16H17F2N/c1-2-6-16(12-7-4-3-5-8-12)19-15-10-13(17)9-14(18)11-15/h3-5,7-11,16,19H,2,6H2,1H3
InChIKeyWNFMCNNUZGWZSO-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.92
Rot. Bonds5

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

3,5-difluoro-N-(1-phenylbutyl)aniline (PubChem CID 43095450) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 3,5-difluoro-N-(1-phenylbutyl)aniline.

Molecular Properties

Compound Name3,5-difluoro-N-(1-phenylbutyl)aniline
PubChem CID43095450
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name3,5-difluoro-N-(1-phenylbutyl)aniline
SMILESCCCC(Nc1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C16H17F2N/c1-2-6-16(12-7-4-3-5-8-12)19-15-10-13(17)9-14(18)11-15/h3-5,7-11,16,19H,2,6H2,1H3
InChIKeyWNFMCNNUZGWZSO-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-difluoro-N-(1-phenylhexyl)aniline
CID 43765021
2,6-dichloro-4-fluoro-N-(1-phenylbutyl)aniline
CID 83076818
3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43105701
3-(3,5-difluoroanilino)-3-phenylpropanenitrile
CID 62778864
2,6-difluoro-N-(1-phenylbutyl)aniline
CID 43123906
3,5-difluoro-N-(1-phenylethyl)aniline
CID 43195985
3-bromo-4-methyl-N-(1-phenylbutyl)aniline
CID 63463611
5-methyl-N-(1-phenylbutyl)pyridin-3-amine
CID 113354141
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81369195
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
2-N,2-N-dimethyl-5-N-(1-phenylbutyl)pyridine-2,5-diamine
CID 43690418

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(1-phenylbutyl)aniline?
The IUPAC name of 3,5-difluoro-N-(1-phenylbutyl)aniline (CID 43095450) is 3,5-difluoro-N-(1-phenylbutyl)aniline.
What is the SMILES notation for 3,5-difluoro-N-(1-phenylbutyl)aniline?
The canonical SMILES for 3,5-difluoro-N-(1-phenylbutyl)aniline is CCCC(Nc1cc(F)cc(F)c1)c1ccccc1.
What is the InChIKey of 3,5-difluoro-N-(1-phenylbutyl)aniline?
The InChIKey is WNFMCNNUZGWZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-2-6-16(12-7-4-3-5-8-12)19-15-10-13(17)9-14(18)11-15/h3-5,7-11,16,19H,2,6H2,1H3.
What are the key properties of 3,5-difluoro-N-(1-phenylbutyl)aniline?
3,5-difluoro-N-(1-phenylbutyl)aniline has a molecular weight of 261.31 g/mol, XLogP of 4.92, 5 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-phenylbutyl)aniline is sourced from PubChem (CID 43095450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).