(3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine

C13H9Br2F2N — CID 114023013

IUPAC(3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine
SMILESNC(c1cc(Br)cc(Br)c1)c1cccc(F)c1F
InChIInChI=1S/C13H9Br2F2N/c14-8-4-7(5-9(15)6-8)13(18)10-2-1-3-11(16)12(10)17/h1-6,13H,18H2
InChIKeyDBQVZDXFCFPLBJ-UHFFFAOYSA-N
MW377.03 g/mol
LogP4.54
Rot. Bonds2

About (3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine

(3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine (PubChem CID 114023013) has the molecular formula C13H9Br2F2N and a molecular weight of 377.03 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine
PubChem CID114023013
Molecular FormulaC13H9Br2F2N
Molecular Weight377.03 g/mol
Exact Mass374.91
IUPAC Name(3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine
SMILESNC(c1cc(Br)cc(Br)c1)c1cccc(F)c1F
InChIInChI=1S/C13H9Br2F2N/c14-8-4-7(5-9(15)6-8)13(18)10-2-1-3-11(16)12(10)17/h1-6,13H,18H2
InChIKeyDBQVZDXFCFPLBJ-UHFFFAOYSA-N
XLogP4.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.03
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 66425066
(2-bromophenyl)-(2,3-difluorophenyl)methanamine
CID 63989436
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 106645435
(2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 115851739
(2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine
CID 63987975
(2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050770
(4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine
CID 81454944
(4-butan-2-ylphenyl)-(2,3-difluorophenyl)methanamine
CID 62648688
[(4-bromo-2,6-difluorophenyl)-(2,3-difluorophenyl)methyl]hydrazine
CID 105309429
(4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine
CID 106646192
(4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine
CID 105056511
2-(3-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine
CID 66160984

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine?
The IUPAC name of (3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine (CID 114023013) is (3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine.
What is the SMILES notation for (3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine?
The canonical SMILES for (3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine is NC(c1cc(Br)cc(Br)c1)c1cccc(F)c1F.
What is the InChIKey of (3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine?
The InChIKey is DBQVZDXFCFPLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2F2N/c14-8-4-7(5-9(15)6-8)13(18)10-2-1-3-11(16)12(10)17/h1-6,13H,18H2.
What are the key properties of (3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine?
(3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine has a molecular weight of 377.03 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine is sourced from PubChem (CID 114023013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).