N-[(5-bromo-2-fluorophenyl)methyl]ethanamine

C9H11BrFN — CID 18070880

IUPACN-[(5-bromo-2-fluorophenyl)methyl]ethanamine
SMILESCCNCc1cc(Br)ccc1F
InChIInChI=1S/C9H11BrFN/c1-2-12-6-7-5-8(10)3-4-9(7)11/h3-5,12H,2,6H2,1H3
InChIKeyUBUGKRWECJFDHP-UHFFFAOYSA-N
MW232.10 g/mol
LogP2.70
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]ethanamine

N-[(5-bromo-2-fluorophenyl)methyl]ethanamine (PubChem CID 18070880) has the molecular formula C9H11BrFN and a molecular weight of 232.10 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]ethanamine
PubChem CID18070880
Molecular FormulaC9H11BrFN
Molecular Weight232.10 g/mol
Exact Mass231.01
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]ethanamine
SMILESCCNCc1cc(Br)ccc1F
InChIInChI=1S/C9H11BrFN/c1-2-12-6-7-5-8(10)3-4-9(7)11/h3-5,12H,2,6H2,1H3
InChIKeyUBUGKRWECJFDHP-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]ethanamine (CID 18070880) is N-[(5-bromo-2-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]ethanamine is CCNCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]ethanamine?
The InChIKey is UBUGKRWECJFDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN/c1-2-12-6-7-5-8(10)3-4-9(7)11/h3-5,12H,2,6H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]ethanamine?
N-[(5-bromo-2-fluorophenyl)methyl]ethanamine has a molecular weight of 232.10 g/mol, XLogP of 2.70, 3 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]ethanamine is sourced from PubChem (CID 18070880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).