6-fluoro-N-(1-phenylpent-4-enyl)pyridin-2-amine

C16H17FN2 — CID 133394883

IUPAC6-fluoro-N-(1-phenylpent-4-enyl)pyridin-2-amine
SMILESC=CCCC(Nc1cccc(F)n1)c1ccccc1
InChIInChI=1S/C16H17FN2/c1-2-3-10-14(13-8-5-4-6-9-13)18-16-12-7-11-15(17)19-16/h2,4-9,11-12,14H,1,3,10H2,(H,18,19)
InChIKeyUDAAKTJJAWKBQI-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.34
Rot. Bonds6

About 6-fluoro-N-(1-phenylpent-4-enyl)pyridin-2-amine

6-fluoro-N-(1-phenylpent-4-enyl)pyridin-2-amine (PubChem CID 133394883) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 6-fluoro-N-(1-phenylpent-4-enyl)pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(1-phenylpent-4-enyl)pyridin-2-amine
PubChem CID133394883
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name6-fluoro-N-(1-phenylpent-4-enyl)pyridin-2-amine
SMILESC=CCCC(Nc1cccc(F)n1)c1ccccc1
InChIInChI=1S/C16H17FN2/c1-2-3-10-14(13-8-5-4-6-9-13)18-16-12-7-11-15(17)19-16/h2,4-9,11-12,14H,1,3,10H2,(H,18,19)
InChIKeyUDAAKTJJAWKBQI-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-N-(1-phenylpent-4-enyl)pyrimidin-2-amine
CID 133394906
6-fluoro-N-[1-(4-fluorophenyl)pentyl]pyridin-2-amine
CID 116812935
N-(1-phenylpent-4-enyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133394890
N-(1-phenylpent-4-enyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 133394862
[(1S)-1-fluoropent-4-enyl]benzene
CID 69121356
2-[(6-fluoro-2-pyridinyl)amino]but-3-en-1-ol
CID 126987371
N-(1-cyclopropylbutan-2-yl)-6-fluoropyridin-2-amine
CID 63996165
(2R)-2-(but-3-enylamino)-2-phenylethanol
CID 14716014
N-ethenyl-1-phenylhex-5-en-1-amine
CID 143899130
N-(6-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 63761958
2-[(6-amino-2-pyridinyl)amino]-2-phenylethanol
CID 80647264
2-[(6-methyl-2-pyridinyl)amino]-2-phenylethanol
CID 63183355

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1-phenylpent-4-enyl)pyridin-2-amine?
The IUPAC name of 6-fluoro-N-(1-phenylpent-4-enyl)pyridin-2-amine (CID 133394883) is 6-fluoro-N-(1-phenylpent-4-enyl)pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-(1-phenylpent-4-enyl)pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-(1-phenylpent-4-enyl)pyridin-2-amine is C=CCCC(Nc1cccc(F)n1)c1ccccc1.
What is the InChIKey of 6-fluoro-N-(1-phenylpent-4-enyl)pyridin-2-amine?
The InChIKey is UDAAKTJJAWKBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c1-2-3-10-14(13-8-5-4-6-9-13)18-16-12-7-11-15(17)19-16/h2,4-9,11-12,14H,1,3,10H2,(H,18,19).
What are the key properties of 6-fluoro-N-(1-phenylpent-4-enyl)pyridin-2-amine?
6-fluoro-N-(1-phenylpent-4-enyl)pyridin-2-amine has a molecular weight of 256.32 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1-phenylpent-4-enyl)pyridin-2-amine is sourced from PubChem (CID 133394883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).