2-bromo-N-[(2,3-difluorophenyl)methyl]prop-2-en-1-amine

C10H10BrF2N — CID 115618237

IUPAC2-bromo-N-[(2,3-difluorophenyl)methyl]prop-2-en-1-amine
SMILESC=C(Br)CNCc1cccc(F)c1F
InChIInChI=1S/C10H10BrF2N/c1-7(11)5-14-6-8-3-2-4-9(12)10(8)13/h2-4,14H,1,5-6H2
InChIKeyOVSWFPASDXSDHO-UHFFFAOYSA-N
MW262.10 g/mol
LogP2.96
Rot. Bonds4

About 2-bromo-N-[(2,3-difluorophenyl)methyl]prop-2-en-1-amine

2-bromo-N-[(2,3-difluorophenyl)methyl]prop-2-en-1-amine (PubChem CID 115618237) has the molecular formula C10H10BrF2N and a molecular weight of 262.10 g/mol. Its IUPAC name is 2-bromo-N-[(2,3-difluorophenyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-[(2,3-difluorophenyl)methyl]prop-2-en-1-amine
PubChem CID115618237
Molecular FormulaC10H10BrF2N
Molecular Weight262.10 g/mol
Exact Mass261.00
IUPAC Name2-bromo-N-[(2,3-difluorophenyl)methyl]prop-2-en-1-amine
SMILESC=C(Br)CNCc1cccc(F)c1F
InChIInChI=1S/C10H10BrF2N/c1-7(11)5-14-6-8-3-2-4-9(12)10(8)13/h2-4,14H,1,5-6H2
InChIKeyOVSWFPASDXSDHO-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromoprop-2-enyl)-2-(2,3-difluorophenyl)acetamide
CID 115686682
1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine
CID 43658793
N-[(2,3-difluorophenyl)methyl]-1-phenylmethanamine
CID 43424966
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine
CID 61301397
2-(2-bromoprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide
CID 115745461
2-[(2,3-difluorophenyl)methylamino]-1-phenylethanol
CID 43425224
N-[(2,3-difluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 43658821
3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699998
1-[3-(chloromethyl)phenyl]-N-[(2,3-difluorophenyl)methyl]methanamine
CID 65024863
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60923656
N'-[(2,3-difluorophenyl)methyl]-N-propylpropane-1,3-diamine
CID 113410212
2-[2-[[(2,3-difluorophenyl)methylamino]methyl]phenoxy]ethanol
CID 111457847

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2,3-difluorophenyl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-bromo-N-[(2,3-difluorophenyl)methyl]prop-2-en-1-amine (CID 115618237) is 2-bromo-N-[(2,3-difluorophenyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-[(2,3-difluorophenyl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-[(2,3-difluorophenyl)methyl]prop-2-en-1-amine is C=C(Br)CNCc1cccc(F)c1F.
What is the InChIKey of 2-bromo-N-[(2,3-difluorophenyl)methyl]prop-2-en-1-amine?
The InChIKey is OVSWFPASDXSDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N/c1-7(11)5-14-6-8-3-2-4-9(12)10(8)13/h2-4,14H,1,5-6H2.
What are the key properties of 2-bromo-N-[(2,3-difluorophenyl)methyl]prop-2-en-1-amine?
2-bromo-N-[(2,3-difluorophenyl)methyl]prop-2-en-1-amine has a molecular weight of 262.10 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2,3-difluorophenyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 115618237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).