(3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine

C14H12Br2FN — CID 106647803

IUPAC(3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine
SMILESCc1ccc(Br)cc1C(N)c1cccc(Br)c1F
InChIInChI=1S/C14H12Br2FN/c1-8-5-6-9(15)7-11(8)14(18)10-3-2-4-12(16)13(10)17/h2-7,14H,18H2,1H3
InChIKeyXGGFKFJPOYVHPC-UHFFFAOYSA-N
MW373.06 g/mol
LogP4.71
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine

(3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine (PubChem CID 106647803) has the molecular formula C14H12Br2FN and a molecular weight of 373.06 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine
PubChem CID106647803
Molecular FormulaC14H12Br2FN
Molecular Weight373.06 g/mol
Exact Mass370.93
IUPAC Name(3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine
SMILESCc1ccc(Br)cc1C(N)c1cccc(Br)c1F
InChIInChI=1S/C14H12Br2FN/c1-8-5-6-9(15)7-11(8)14(18)10-3-2-4-12(16)13(10)17/h2-7,14H,18H2,1H3
InChIKeyXGGFKFJPOYVHPC-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.06
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine
CID 107947115
(4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine
CID 106646192
(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985569
(3-bromo-2-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 107950729
(4-bromo-2,5-difluorophenyl)-(5-bromo-2-methylphenyl)methanamine
CID 65307701
(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048420
(3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine
CID 106648243
(3-bromo-2-fluorophenyl)-(4-chloro-2-methylphenyl)methanamine
CID 114028370
(2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81478085
1-bromo-3-[bromo-(2,5-dimethylphenyl)methyl]-2-fluorobenzene
CID 107958460
(5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985209
1,4-dibromo-2-[bromo-(3-bromo-2-fluorophenyl)methyl]benzene
CID 107958201

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine?
The IUPAC name of (3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine (CID 106647803) is (3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine is Cc1ccc(Br)cc1C(N)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine?
The InChIKey is XGGFKFJPOYVHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FN/c1-8-5-6-9(15)7-11(8)14(18)10-3-2-4-12(16)13(10)17/h2-7,14H,18H2,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine?
(3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine has a molecular weight of 373.06 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine is sourced from PubChem (CID 106647803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).