2-(4-fluorophenyl)-N-methylpent-4-en-1-amine

C12H16FN — CID 18354439

IUPAC2-(4-fluorophenyl)-N-methylpent-4-en-1-amine
SMILESC=CCC(CNC)c1ccc(F)cc1
InChIInChI=1S/C12H16FN/c1-3-4-11(9-14-2)10-5-7-12(13)8-6-10/h3,5-8,11,14H,1,4,9H2,2H3
InChIKeyIKDLRXWPZSXACS-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.70
Rot. Bonds5

About 2-(4-fluorophenyl)-N-methylpent-4-en-1-amine

2-(4-fluorophenyl)-N-methylpent-4-en-1-amine (PubChem CID 18354439) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methylpent-4-en-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methylpent-4-en-1-amine
PubChem CID18354439
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name2-(4-fluorophenyl)-N-methylpent-4-en-1-amine
SMILESC=CCC(CNC)c1ccc(F)cc1
InChIInChI=1S/C12H16FN/c1-3-4-11(9-14-2)10-5-7-12(13)8-6-10/h3,5-8,11,14H,1,4,9H2,2H3
InChIKeyIKDLRXWPZSXACS-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(4-methylphenyl)pent-4-en-1-amine
CID 154930772
3-(4-fluorophenyl)-4-(methylamino)butanal
CID 59011239
(2S)-2-(4-fluorophenyl)-N-methylpent-4-en-1-amine;N-[(2S)-2-(4-fluorophenyl)pent-4-enyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 161114173
3-(4-fluorophenyl)-4-(methylamino)butan-1-ol
CID 59012185
2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 79442314
2-(4-fluorophenyl)-N-methylhexan-1-amine
CID 79442456
2-(4-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441486
3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
CID 114933725
(4S)-4-(4-fluorophenyl)-2-methylhept-6-ene-2-sulfinamide
CID 168761550
3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
CID 103049776
2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 79441418
(2S)-2-(4-fluorophenyl)pent-4-enenitrile
CID 101191860

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methylpent-4-en-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-methylpent-4-en-1-amine (CID 18354439) is 2-(4-fluorophenyl)-N-methylpent-4-en-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methylpent-4-en-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-methylpent-4-en-1-amine is C=CCC(CNC)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-methylpent-4-en-1-amine?
The InChIKey is IKDLRXWPZSXACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-3-4-11(9-14-2)10-5-7-12(13)8-6-10/h3,5-8,11,14H,1,4,9H2,2H3.
What are the key properties of 2-(4-fluorophenyl)-N-methylpent-4-en-1-amine?
2-(4-fluorophenyl)-N-methylpent-4-en-1-amine has a molecular weight of 193.26 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methylpent-4-en-1-amine is sourced from PubChem (CID 18354439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).