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

C12H16FN — CID 10219784

IUPAC(E)-5-(3-fluorophenyl)-N-methylpent-4-en-2-amine
SMILESCNC(C)C/C=C/c1cccc(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/b6-3+
InChIKeyHFRLTTNKHKGHHR-ZZXKWVIFSA-N
MW193.27 g/mol
LogP2.84
Rot. Bonds4

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

(E)-5-(3-fluorophenyl)-N-methylpent-4-en-2-amine (PubChem CID 10219784) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is (E)-5-(3-fluorophenyl)-N-methylpent-4-en-2-amine.

Molecular Properties

Compound Name(E)-5-(3-fluorophenyl)-N-methylpent-4-en-2-amine
PubChem CID10219784
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name(E)-5-(3-fluorophenyl)-N-methylpent-4-en-2-amine
SMILESCNC(C)C/C=C/c1cccc(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/b6-3+
InChIKeyHFRLTTNKHKGHHR-ZZXKWVIFSA-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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Frequently Asked Questions

What is the IUPAC name of (E)-5-(3-fluorophenyl)-N-methylpent-4-en-2-amine?
The IUPAC name of (E)-5-(3-fluorophenyl)-N-methylpent-4-en-2-amine (CID 10219784) is (E)-5-(3-fluorophenyl)-N-methylpent-4-en-2-amine.
What is the SMILES notation for (E)-5-(3-fluorophenyl)-N-methylpent-4-en-2-amine?
The canonical SMILES for (E)-5-(3-fluorophenyl)-N-methylpent-4-en-2-amine is CNC(C)C/C=C/c1cccc(F)c1.
What is the InChIKey of (E)-5-(3-fluorophenyl)-N-methylpent-4-en-2-amine?
The InChIKey is HFRLTTNKHKGHHR-ZZXKWVIFSA-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/b6-3+.
What are the key properties of (E)-5-(3-fluorophenyl)-N-methylpent-4-en-2-amine?
(E)-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 (E)-5-(3-fluorophenyl)-N-methylpent-4-en-2-amine is sourced from PubChem (CID 10219784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).