(4-bromo-2-fluorophenyl)methanamine

C7H7BrFN — CID 3770848

IUPAC(4-bromo-2-fluorophenyl)methanamine
SMILESNCc1ccc(Br)cc1F
InChIInChI=1S/C7H7BrFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2
InChIKeyRLTFBWCBGIZCDQ-UHFFFAOYSA-N
MW204.04 g/mol
LogP2.05
Rot. Bonds1

About (4-bromo-2-fluorophenyl)methanamine

(4-bromo-2-fluorophenyl)methanamine (PubChem CID 3770848) has the molecular formula C7H7BrFN and a molecular weight of 204.04 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)methanamine
PubChem CID3770848
Molecular FormulaC7H7BrFN
Molecular Weight204.04 g/mol
Exact Mass202.97
IUPAC Name(4-bromo-2-fluorophenyl)methanamine
SMILESNCc1ccc(Br)cc1F
InChIInChI=1S/C7H7BrFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2
InChIKeyRLTFBWCBGIZCDQ-UHFFFAOYSA-N
XLogP2.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.04
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)methanamine?
The IUPAC name of (4-bromo-2-fluorophenyl)methanamine (CID 3770848) is (4-bromo-2-fluorophenyl)methanamine.
What is the SMILES notation for (4-bromo-2-fluorophenyl)methanamine?
The canonical SMILES for (4-bromo-2-fluorophenyl)methanamine is NCc1ccc(Br)cc1F.
What is the InChIKey of (4-bromo-2-fluorophenyl)methanamine?
The InChIKey is RLTFBWCBGIZCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2.
What are the key properties of (4-bromo-2-fluorophenyl)methanamine?
(4-bromo-2-fluorophenyl)methanamine has a molecular weight of 204.04 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)methanamine is sourced from PubChem (CID 3770848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).