1-(2,3-difluorophenyl)-N-methylpent-4-en-1-amine

C12H15F2N — CID 104987321

IUPAC1-(2,3-difluorophenyl)-N-methylpent-4-en-1-amine
SMILESC=CCCC(NC)c1cccc(F)c1F
InChIInChI=1S/C12H15F2N/c1-3-4-8-11(15-2)9-6-5-7-10(13)12(9)14/h3,5-7,11,15H,1,4,8H2,2H3
InChIKeyFYPQHNFTFMWWAO-UHFFFAOYSA-N
MW211.25 g/mol
LogP3.19
Rot. Bonds5

About 1-(2,3-difluorophenyl)-N-methylpent-4-en-1-amine

1-(2,3-difluorophenyl)-N-methylpent-4-en-1-amine (PubChem CID 104987321) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-methylpent-4-en-1-amine
PubChem CID104987321
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name1-(2,3-difluorophenyl)-N-methylpent-4-en-1-amine
SMILESC=CCCC(NC)c1cccc(F)c1F
InChIInChI=1S/C12H15F2N/c1-3-4-8-11(15-2)9-6-5-7-10(13)12(9)14/h3,5-7,11,15H,1,4,8H2,2H3
InChIKeyFYPQHNFTFMWWAO-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 53.19
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

1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine
CID 104986798
1-(2-chloro-6-fluorophenyl)-N-methylpent-4-en-1-amine
CID 104987746
1-(3-bromo-2-methylphenyl)-N-methylpent-4-en-1-amine
CID 104987320
1-(5-bromo-2-fluorophenyl)-N-methylpent-4-en-1-amine
CID 114894774
1-(2,6-difluorophenyl)-N-ethylpent-4-en-1-amine
CID 79523146
1-(2-bromo-5-fluorophenyl)-N-methylpent-4-en-1-amine
CID 104987330
1-[(1R)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine
CID 171289612
1-[(1S)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine
CID 171276987
2-(2,3-difluorophenyl)-2-(propan-2-ylamino)ethanol
CID 63667424
1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine
CID 115834345
1-(2,3-difluorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105050986
1-(2-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine
CID 107985039

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-methylpent-4-en-1-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-methylpent-4-en-1-amine (CID 104987321) is 1-(2,3-difluorophenyl)-N-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-methylpent-4-en-1-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-methylpent-4-en-1-amine is C=CCCC(NC)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-methylpent-4-en-1-amine?
The InChIKey is FYPQHNFTFMWWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-3-4-8-11(15-2)9-6-5-7-10(13)12(9)14/h3,5-7,11,15H,1,4,8H2,2H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-methylpent-4-en-1-amine?
1-(2,3-difluorophenyl)-N-methylpent-4-en-1-amine has a molecular weight of 211.25 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-methylpent-4-en-1-amine is sourced from PubChem (CID 104987321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).