2-fluoro-N-(1-phenylpentyl)aniline

C17H20FN — CID 43763346

IUPAC2-fluoro-N-(1-phenylpentyl)aniline
SMILESCCCCC(Nc1ccccc1F)c1ccccc1
InChIInChI=1S/C17H20FN/c1-2-3-12-16(14-9-5-4-6-10-14)19-17-13-8-7-11-15(17)18/h4-11,13,16,19H,2-3,12H2,1H3
InChIKeyKGSVQDUIDKAUAS-UHFFFAOYSA-N
MW257.35 g/mol
LogP5.17
Rot. Bonds6

About 2-fluoro-N-(1-phenylpentyl)aniline

2-fluoro-N-(1-phenylpentyl)aniline (PubChem CID 43763346) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-fluoro-N-(1-phenylpentyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(1-phenylpentyl)aniline
PubChem CID43763346
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name2-fluoro-N-(1-phenylpentyl)aniline
SMILESCCCCC(Nc1ccccc1F)c1ccccc1
InChIInChI=1S/C17H20FN/c1-2-3-12-16(14-9-5-4-6-10-14)19-17-13-8-7-11-15(17)18/h4-11,13,16,19H,2-3,12H2,1H3
InChIKeyKGSVQDUIDKAUAS-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.35
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-2-methyl-N-(1-phenylpentyl)aniline
CID 63453826
2-methylsulfanyl-N-(1-phenylhexyl)aniline
CID 43780995
2-N,2-N-dimethyl-1-N-(1-phenylpentyl)benzene-1,2-diamine
CID 43787294
2-fluoro-N-(3-methyl-1-phenylbutyl)aniline
CID 43095350
4-fluoro-2-iodo-N-(1-phenylpentyl)aniline
CID 79769469
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
2,5-dichloro-N-(1-phenylpentyl)aniline
CID 43757186
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
2,6-difluoro-N-(1-phenylbutyl)aniline
CID 43123906
[(1S)-1-phenylpentyl]hydrazine
CID 124537681
3,5-difluoro-N-(1-phenylhexyl)aniline
CID 43765021
3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline
CID 43775902

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-phenylpentyl)aniline?
The IUPAC name of 2-fluoro-N-(1-phenylpentyl)aniline (CID 43763346) is 2-fluoro-N-(1-phenylpentyl)aniline.
What is the SMILES notation for 2-fluoro-N-(1-phenylpentyl)aniline?
The canonical SMILES for 2-fluoro-N-(1-phenylpentyl)aniline is CCCCC(Nc1ccccc1F)c1ccccc1.
What is the InChIKey of 2-fluoro-N-(1-phenylpentyl)aniline?
The InChIKey is KGSVQDUIDKAUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-2-3-12-16(14-9-5-4-6-10-14)19-17-13-8-7-11-15(17)18/h4-11,13,16,19H,2-3,12H2,1H3.
What are the key properties of 2-fluoro-N-(1-phenylpentyl)aniline?
2-fluoro-N-(1-phenylpentyl)aniline has a molecular weight of 257.35 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-phenylpentyl)aniline is sourced from PubChem (CID 43763346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).