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

C10H10BrF2N — CID 107538944

IUPAC1-(2-bromo-3,4-difluorophenyl)-N-methylprop-2-en-1-amine
SMILESC=CC(NC)c1ccc(F)c(F)c1Br
InChIInChI=1S/C10H10BrF2N/c1-3-8(14-2)6-4-5-7(12)10(13)9(6)11/h3-5,8,14H,1H2,2H3
InChIKeyNTKFDNQVIFMRPW-UHFFFAOYSA-N
MW262.10 g/mol
LogP3.17
Rot. Bonds3

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

1-(2-bromo-3,4-difluorophenyl)-N-methylprop-2-en-1-amine (PubChem CID 107538944) has the molecular formula C10H10BrF2N and a molecular weight of 262.10 g/mol. Its IUPAC name is 1-(2-bromo-3,4-difluorophenyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(2-bromo-3,4-difluorophenyl)-N-methylprop-2-en-1-amine
PubChem CID107538944
Molecular FormulaC10H10BrF2N
Molecular Weight262.10 g/mol
Exact Mass261.00
IUPAC Name1-(2-bromo-3,4-difluorophenyl)-N-methylprop-2-en-1-amine
SMILESC=CC(NC)c1ccc(F)c(F)c1Br
InChIInChI=1S/C10H10BrF2N/c1-3-8(14-2)6-4-5-7(12)10(13)9(6)11/h3-5,8,14H,1H2,2H3
InChIKeyNTKFDNQVIFMRPW-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-bromo-3,4-difluorophenyl)ethanamine
CID 103739050
1-(2-bromo-3,4-difluorophenyl)ethanamine
CID 84699199
1-(2-bromo-3,4-difluorophenyl)-N,4-dimethylpentan-1-amine
CID 107538949
1-(2-fluoro-4-methoxyphenyl)-N-methylprop-2-en-1-amine
CID 81305455
1-(2-bromo-6-fluorophenyl)-N-methylprop-2-en-1-amine
CID 114886934
1-(2-bromo-3,4-difluorophenyl)-N-ethylpent-4-en-1-amine
CID 107539190
1-(4-chloro-2-methoxyphenyl)-N-methylprop-2-en-1-amine
CID 105000664
[1-(2-bromo-3,4-difluorophenyl)-2-methylprop-2-enyl]hydrazine
CID 107541321
1-(2-bromo-3,4-difluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 107539105
[1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropyl]hydrazine
CID 107541408
1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 103852505
1-(2-bromo-3,4-difluorophenyl)hex-5-enylhydrazine
CID 107541153

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-N-methylprop-2-en-1-amine (CID 107538944) is 1-(2-bromo-3,4-difluorophenyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(2-bromo-3,4-difluorophenyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 1-(2-bromo-3,4-difluorophenyl)-N-methylprop-2-en-1-amine is C=CC(NC)c1ccc(F)c(F)c1Br.
What is the InChIKey of 1-(2-bromo-3,4-difluorophenyl)-N-methylprop-2-en-1-amine?
The InChIKey is NTKFDNQVIFMRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N/c1-3-8(14-2)6-4-5-7(12)10(13)9(6)11/h3-5,8,14H,1H2,2H3.
What are the key properties of 1-(2-bromo-3,4-difluorophenyl)-N-methylprop-2-en-1-amine?
1-(2-bromo-3,4-difluorophenyl)-N-methylprop-2-en-1-amine has a molecular weight of 262.10 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,4-difluorophenyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 107538944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).