1-(3-bromo-4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine

C13H17BrFN — CID 103902896

IUPAC1-(3-bromo-4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
SMILESCC(NCC1(C)CC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H17BrFN/c1-9(16-8-13(2)5-6-13)10-3-4-12(15)11(14)7-10/h3-4,7,9,16H,5-6,8H2,1-2H3
InChIKeyWYGUGLCOWHAJIU-UHFFFAOYSA-N
MW286.19 g/mol
LogP4.04
Rot. Bonds4

About 1-(3-bromo-4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine

1-(3-bromo-4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine (PubChem CID 103902896) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
PubChem CID103902896
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
SMILESCC(NCC1(C)CC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H17BrFN/c1-9(16-8-13(2)5-6-13)10-3-4-12(15)11(14)7-10/h3-4,7,9,16H,5-6,8H2,1-2H3
InChIKeyWYGUGLCOWHAJIU-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[1-(3-bromo-4-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105321
1-(4-bromo-2-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 102613018
1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 43775644
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 43754836
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 114158640
3-[1-(3-bromo-4-fluorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103778624
N-[1-(3-bromo-4-fluorophenyl)ethyl]aniline
CID 43756125
2-N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945400
1-(3-bromo-4-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 54927743
1-(3-bromo-4-fluorophenyl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 61013264
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylsulfanylbutan-1-amine
CID 115721432
1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine
CID 61401322

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine (CID 103902896) is 1-(3-bromo-4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine is CC(NCC1(C)CC1)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine?
The InChIKey is WYGUGLCOWHAJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-9(16-8-13(2)5-6-13)10-3-4-12(15)11(14)7-10/h3-4,7,9,16H,5-6,8H2,1-2H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine?
1-(3-bromo-4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine has a molecular weight of 286.19 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 103902896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).