1-(2-bromo-3-fluorophenyl)-N-methylpent-4-en-2-amine

C12H15BrFN — CID 116660523

IUPAC1-(2-bromo-3-fluorophenyl)-N-methylpent-4-en-2-amine
SMILESC=CCC(Cc1cccc(F)c1Br)NC
InChIInChI=1S/C12H15BrFN/c1-3-5-10(15-2)8-9-6-4-7-11(14)12(9)13/h3-4,6-7,10,15H,1,5,8H2,2H3
InChIKeyYSMPSKWXLBPNNC-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.29
Rot. Bonds5

About 1-(2-bromo-3-fluorophenyl)-N-methylpent-4-en-2-amine

1-(2-bromo-3-fluorophenyl)-N-methylpent-4-en-2-amine (PubChem CID 116660523) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-N-methylpent-4-en-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-N-methylpent-4-en-2-amine
PubChem CID116660523
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name1-(2-bromo-3-fluorophenyl)-N-methylpent-4-en-2-amine
SMILESC=CCC(Cc1cccc(F)c1Br)NC
InChIInChI=1S/C12H15BrFN/c1-3-5-10(15-2)8-9-6-4-7-11(14)12(9)13/h3-4,6-7,10,15H,1,5,8H2,2H3
InChIKeyYSMPSKWXLBPNNC-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.29
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-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine
CID 116660745
1-(2-bromo-3-fluorophenyl)-N,4,5,5-tetramethylhexan-2-amine
CID 105020658
1-(3-chloro-2-fluorophenyl)-N-methylpent-4-en-2-amine
CID 82805465
1-(2-bromo-3-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
CID 105172022
1-(2-bromo-3-fluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105172143
1-(4-bromophenyl)-N-methylpent-4-en-2-amine
CID 61380777
[1-(2-bromo-3-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-yl]hydrazine
CID 105327024
1-(5-bromothiophen-2-yl)-N-methylpent-4-en-2-amine
CID 116660483
1-(2-bromo-3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 105020405
1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine
CID 116660621
2-bromo-1-fluoro-3-(2-methylbutyl)benzene
CID 131992964
1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 105020430

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-N-methylpent-4-en-2-amine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-N-methylpent-4-en-2-amine (CID 116660523) is 1-(2-bromo-3-fluorophenyl)-N-methylpent-4-en-2-amine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-N-methylpent-4-en-2-amine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-N-methylpent-4-en-2-amine is C=CCC(Cc1cccc(F)c1Br)NC.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-N-methylpent-4-en-2-amine?
The InChIKey is YSMPSKWXLBPNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-3-5-10(15-2)8-9-6-4-7-11(14)12(9)13/h3-4,6-7,10,15H,1,5,8H2,2H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-N-methylpent-4-en-2-amine?
1-(2-bromo-3-fluorophenyl)-N-methylpent-4-en-2-amine has a molecular weight of 272.16 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-N-methylpent-4-en-2-amine is sourced from PubChem (CID 116660523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).