5-(2,5-difluorophenyl)-N-methylpent-3-en-1-amine

C12H15F2N — CID 79593591

IUPAC5-(2,5-difluorophenyl)-N-methylpent-3-en-1-amine
SMILESCNCCC=CCc1cc(F)ccc1F
InChIInChI=1S/C12H15F2N/c1-15-8-4-2-3-5-10-9-11(13)6-7-12(10)14/h2-3,6-7,9,15H,4-5,8H2,1H3
InChIKeyMIYMRKGRGOCZNF-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.67
Rot. Bonds5

About 5-(2,5-difluorophenyl)-N-methylpent-3-en-1-amine

5-(2,5-difluorophenyl)-N-methylpent-3-en-1-amine (PubChem CID 79593591) has the molecular formula C12H15F2N and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-N-methylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-N-methylpent-3-en-1-amine
PubChem CID79593591
Molecular FormulaC12H15F2N
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name5-(2,5-difluorophenyl)-N-methylpent-3-en-1-amine
SMILESCNCCC=CCc1cc(F)ccc1F
InChIInChI=1S/C12H15F2N/c1-15-8-4-2-3-5-10-9-11(13)6-7-12(10)14/h2-3,6-7,9,15H,4-5,8H2,1H3
InChIKeyMIYMRKGRGOCZNF-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine
CID 79590280
2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine
CID 62335881
5-(2-bromo-5-fluorophenyl)-N-propylpent-3-en-1-amine
CID 79591063
(E)-5-(2-chloro-5-fluorophenyl)-N-propylpent-3-en-1-amine
CID 102621727
4-(4-fluoro-2-methylphenyl)-N-methylbut-3-en-1-amine
CID 79591290
5-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79598413
2-[4-[(2,5-difluorophenyl)methyl]thiophen-2-yl]-N-methylethanamine
CID 143154960
2-ethyl-1,4-difluorobenzene
CID 23202513
4-(3-chloro-4-fluorophenyl)-N-methylbut-3-en-1-amine
CID 170495335
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
4-(3-fluorophenyl)-N-methylpent-3-en-1-amine
CID 79599336
1-(2-ethyl-5-fluorophenyl)-N-methylmethanamine
CID 84765258

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-N-methylpent-3-en-1-amine?
The IUPAC name of 5-(2,5-difluorophenyl)-N-methylpent-3-en-1-amine (CID 79593591) is 5-(2,5-difluorophenyl)-N-methylpent-3-en-1-amine.
What is the SMILES notation for 5-(2,5-difluorophenyl)-N-methylpent-3-en-1-amine?
The canonical SMILES for 5-(2,5-difluorophenyl)-N-methylpent-3-en-1-amine is CNCCC=CCc1cc(F)ccc1F.
What is the InChIKey of 5-(2,5-difluorophenyl)-N-methylpent-3-en-1-amine?
The InChIKey is MIYMRKGRGOCZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-15-8-4-2-3-5-10-9-11(13)6-7-12(10)14/h2-3,6-7,9,15H,4-5,8H2,1H3.
What are the key properties of 5-(2,5-difluorophenyl)-N-methylpent-3-en-1-amine?
5-(2,5-difluorophenyl)-N-methylpent-3-en-1-amine has a molecular weight of 211.26 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-N-methylpent-3-en-1-amine is sourced from PubChem (CID 79593591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).