1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine

C13H17BrFN — CID 105011902

IUPAC1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
SMILESCNC(c1cc(Br)ccc1F)C(C)C1CC1
InChIInChI=1S/C13H17BrFN/c1-8(9-3-4-9)13(16-2)11-7-10(14)5-6-12(11)15/h5-9,13,16H,3-4H2,1-2H3
InChIKeyAPZFIEXECPWIRF-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.89
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine

1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine (PubChem CID 105011902) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
PubChem CID105011902
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
SMILESCNC(c1cc(Br)ccc1F)C(C)C1CC1
InChIInChI=1S/C13H17BrFN/c1-8(9-3-4-9)13(16-2)11-7-10(14)5-6-12(11)15/h5-9,13,16H,3-4H2,1-2H3
InChIKeyAPZFIEXECPWIRF-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2,5-difluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 83154592
1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105022658
1-(5-bromo-2-fluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 105011894
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105167402
1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105396910
2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 83154390
2-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]butanoic acid
CID 116959731
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302180
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191
1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-ethoxy-N-ethylethanamine
CID 116723613
2-cyclopropyl-1-(2,5-difluorophenyl)-N-ethylpropan-1-amine
CID 83153802
1-(5-bromo-2-fluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 114894811

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine (CID 105011902) is 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine is CNC(c1cc(Br)ccc1F)C(C)C1CC1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine?
The InChIKey is APZFIEXECPWIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-8(9-3-4-9)13(16-2)11-7-10(14)5-6-12(11)15/h5-9,13,16H,3-4H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine?
1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine has a molecular weight of 286.19 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine is sourced from PubChem (CID 105011902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).