4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine

C12H16FN — CID 79590011

IUPAC4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine
SMILESCC(=CCCN)c1cc(F)ccc1C
InChIInChI=1S/C12H16FN/c1-9(4-3-7-14)12-8-11(13)6-5-10(12)2/h4-6,8H,3,7,14H2,1-2H3
InChIKeyFYXJOWFEGXRVPN-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.89
Rot. Bonds3

About 4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine

4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine (PubChem CID 79590011) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine
PubChem CID79590011
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine
SMILESCC(=CCCN)c1cc(F)ccc1C
InChIInChI=1S/C12H16FN/c1-9(4-3-7-14)12-8-11(13)6-5-10(12)2/h4-6,8H,3,7,14H2,1-2H3
InChIKeyFYXJOWFEGXRVPN-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-5-(4-fluoro-2-methylphenyl)-4-methylpent-3-en-1-amine
CID 114350051
4-(5-bromo-2-fluorophenyl)pent-3-en-1-amine
CID 79739323
4-(2,5-difluorophenyl)-N-propylpent-3-en-1-amine
CID 79598982
4-(2,5-difluorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607469
4-(2,5-dimethylfuran-3-yl)pent-3-en-1-amine
CID 76997431
4-(3-methylphenyl)pent-3-en-1-amine
CID 76996989
2-(2-aminoethoxy)-1-(5-fluoro-2-methylphenyl)ethanone
CID 116590821
but-1-ene;4-fluoro-1-methyl-2-[(Z)-4-methylhex-2-en-2-yl]benzene
CID 156646039
1-[2-(4-aminobut-1-enyl)-5-fluorophenyl]ethanone
CID 170487221
1-(4-chlorobut-2-en-2-yl)-2,4-difluorobenzene
CID 121350292
(E)-5-(2,5-dimethylphenyl)hex-4-enoic acid
CID 82079316
1-[(Z)-5-chloropent-2-en-2-yl]-2,3-difluoro-4-methylbenzene
CID 107514672

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine (CID 79590011) is 4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine is CC(=CCCN)c1cc(F)ccc1C.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine?
The InChIKey is FYXJOWFEGXRVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-9(4-3-7-14)12-8-11(13)6-5-10(12)2/h4-6,8H,3,7,14H2,1-2H3.
What are the key properties of 4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine?
4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine has a molecular weight of 193.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine is sourced from PubChem (CID 79590011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).