(3-bromophenyl)-(3-fluorophenyl)methanamine

C13H11BrFN — CID 60819846

IUPAC(3-bromophenyl)-(3-fluorophenyl)methanamine
SMILESNC(c1cccc(F)c1)c1cccc(Br)c1
InChIInChI=1S/C13H11BrFN/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8,13H,16H2
InChIKeyAILANKYWKDHJDG-UHFFFAOYSA-N
MW280.14 g/mol
LogP3.64
Rot. Bonds2

About (3-bromophenyl)-(3-fluorophenyl)methanamine

(3-bromophenyl)-(3-fluorophenyl)methanamine (PubChem CID 60819846) has the molecular formula C13H11BrFN and a molecular weight of 280.14 g/mol. Its IUPAC name is (3-bromophenyl)-(3-fluorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromophenyl)-(3-fluorophenyl)methanamine
PubChem CID60819846
Molecular FormulaC13H11BrFN
Molecular Weight280.14 g/mol
Exact Mass279.01
IUPAC Name(3-bromophenyl)-(3-fluorophenyl)methanamine
SMILESNC(c1cccc(F)c1)c1cccc(Br)c1
InChIInChI=1S/C13H11BrFN/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8,13H,16H2
InChIKeyAILANKYWKDHJDG-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.14
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(3-fluorophenyl)methanamine?
The IUPAC name of (3-bromophenyl)-(3-fluorophenyl)methanamine (CID 60819846) is (3-bromophenyl)-(3-fluorophenyl)methanamine.
What is the SMILES notation for (3-bromophenyl)-(3-fluorophenyl)methanamine?
The canonical SMILES for (3-bromophenyl)-(3-fluorophenyl)methanamine is NC(c1cccc(F)c1)c1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)-(3-fluorophenyl)methanamine?
The InChIKey is AILANKYWKDHJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8,13H,16H2.
What are the key properties of (3-bromophenyl)-(3-fluorophenyl)methanamine?
(3-bromophenyl)-(3-fluorophenyl)methanamine has a molecular weight of 280.14 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(3-fluorophenyl)methanamine is sourced from PubChem (CID 60819846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).