N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane

C11H17BrFN — CID 143672674

IUPACN-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
SMILESCC.CCNCc1ccc(Br)cc1F
InChIInChI=1S/C9H11BrFN.C2H6/c1-2-12-6-7-3-4-8(10)5-9(7)11;1-2/h3-5,12H,2,6H2,1H3;1-2H3
InChIKeyYSZKSENEPBVFEK-UHFFFAOYSA-N
MW262.17 g/mol
LogP3.72
Rot. Bonds3

About N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane

N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane (PubChem CID 143672674) has the molecular formula C11H17BrFN and a molecular weight of 262.17 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
PubChem CID143672674
Molecular FormulaC11H17BrFN
Molecular Weight262.17 g/mol
Exact Mass261.05
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
SMILESCC.CCNCc1ccc(Br)cc1F
InChIInChI=1S/C9H11BrFN.C2H6/c1-2-12-6-7-3-4-8(10)5-9(7)11;1-2/h3-5,12H,2,6H2,1H3;1-2H3
InChIKeyYSZKSENEPBVFEK-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-fluorophenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 64681971
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylbut-2-en-1-amine
CID 103528017
N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine
CID 43364189
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
N-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)-2-ethylbutan-1-amine
CID 114164302
N-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine
CID 114674405
1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66040311
N-[[1-[(4-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62221262
N-[[1-[(4-bromo-2-fluorophenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718575
N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropropan-1-amine
CID 115733054
5-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
CID 79599622

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane (CID 143672674) is N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane is CC.CCNCc1ccc(Br)cc1F.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane?
The InChIKey is YSZKSENEPBVFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN.C2H6/c1-2-12-6-7-3-4-8(10)5-9(7)11;1-2/h3-5,12H,2,6H2,1H3;1-2H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane?
N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane has a molecular weight of 262.17 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane is sourced from PubChem (CID 143672674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).