N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine

C13H17BrFN — CID 63987847

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
SMILESCC(CC1CC1)NCc1cc(Br)ccc1F
InChIInChI=1S/C13H17BrFN/c1-9(6-10-2-3-10)16-8-11-7-12(14)4-5-13(11)15/h4-5,7,9-10,16H,2-3,6,8H2,1H3
InChIKeyHAROHQBSCNODNC-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.87
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine

N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine (PubChem CID 63987847) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
PubChem CID63987847
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
SMILESCC(CC1CC1)NCc1cc(Br)ccc1F
InChIInChI=1S/C13H17BrFN/c1-9(6-10-2-3-10)16-8-11-7-12(14)4-5-13(11)15/h4-5,7,9-10,16H,2-3,6,8H2,1H3
InChIKeyHAROHQBSCNODNC-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 115762374
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639897
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]butan-2-amine
CID 83186890
N-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine
CID 63455979
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 81145628
1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine
CID 115714661
4-[(1-cyclopropylpropan-2-ylamino)methyl]benzene-1,3-diol
CID 63989718
3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutan-2-ol
CID 62816209
N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropyl-1-phenylmethanamine
CID 43233418
N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine
CID 60658432
N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 63452448

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine (CID 63987847) is N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine is CC(CC1CC1)NCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine?
The InChIKey is HAROHQBSCNODNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-9(6-10-2-3-10)16-8-11-7-12(14)4-5-13(11)15/h4-5,7,9-10,16H,2-3,6,8H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine has a molecular weight of 286.19 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine is sourced from PubChem (CID 63987847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).