5-(3-fluorophenyl)-N-methylpent-4-en-2-amine

C12H16FN — CID 70124830

IUPAC5-(3-fluorophenyl)-N-methylpent-4-en-2-amine
SMILESCNC(C)CC=Cc1cccc(F)c1
InChIInChI=1S/C12H16FN/c1-10(14-2)5-3-6-11-7-4-8-12(13)9-11/h3-4,6-10,14H,5H2,1-2H3
InChIKeyHFRLTTNKHKGHHR-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.84
Rot. Bonds4

About 5-(3-fluorophenyl)-N-methylpent-4-en-2-amine

5-(3-fluorophenyl)-N-methylpent-4-en-2-amine (PubChem CID 70124830) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-methylpent-4-en-2-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-methylpent-4-en-2-amine
PubChem CID70124830
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name5-(3-fluorophenyl)-N-methylpent-4-en-2-amine
SMILESCNC(C)CC=Cc1cccc(F)c1
InChIInChI=1S/C12H16FN/c1-10(14-2)5-3-6-11-7-4-8-12(13)9-11/h3-4,6-10,14H,5H2,1-2H3
InChIKeyHFRLTTNKHKGHHR-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(E)-4-(methylamino)pent-1-enyl]aniline
CID 18388238
1-[(E)-4,4-dimethoxybut-1-enyl]-3-fluorobenzene
CID 71465696
(2S)-5-[5-(4-fluorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine
CID 66746697
1-fluoro-3-[(E)-3-iodobut-1-enyl]benzene
CID 142022968
1-fluoro-3-[3-(3-fluorophenyl)prop-1-enyl]benzene
CID 174834493
(E,2R)-N-methyl-5-pyrimidin-5-ylpent-4-en-2-amine
CID 10329870
4-(3-fluorophenyl)-N-(3-hydroxybutyl)but-3-enamide
CID 111779537
N-[(E)-3-(3-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 44546125
1-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]benzene
CID 11148621
(E)-N-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pent-4-en-2-amine
CID 22714596
(E)-3-(3-fluorophenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine
CID 122385228
[3-(4-methylpent-1-enyl)phenyl]boronic acid
CID 154064958

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-methylpent-4-en-2-amine?
The IUPAC name of 5-(3-fluorophenyl)-N-methylpent-4-en-2-amine (CID 70124830) is 5-(3-fluorophenyl)-N-methylpent-4-en-2-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-N-methylpent-4-en-2-amine?
The canonical SMILES for 5-(3-fluorophenyl)-N-methylpent-4-en-2-amine is CNC(C)CC=Cc1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-N-methylpent-4-en-2-amine?
The InChIKey is HFRLTTNKHKGHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-10(14-2)5-3-6-11-7-4-8-12(13)9-11/h3-4,6-10,14H,5H2,1-2H3.
What are the key properties of 5-(3-fluorophenyl)-N-methylpent-4-en-2-amine?
5-(3-fluorophenyl)-N-methylpent-4-en-2-amine has a molecular weight of 193.27 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-methylpent-4-en-2-amine is sourced from PubChem (CID 70124830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).