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

C14H12Br2FN — CID 107985209

IUPAC(5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2cc(Br)ccc2F)c1Br
InChIInChI=1S/C14H12Br2FN/c1-8-3-2-4-10(13(8)16)14(18)11-7-9(15)5-6-12(11)17/h2-7,14H,18H2,1H3
InChIKeyZLLYWTVUEWNXCB-UHFFFAOYSA-N
MW373.06 g/mol
LogP4.71
Rot. Bonds2

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

(5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine (PubChem CID 107985209) has the molecular formula C14H12Br2FN and a molecular weight of 373.06 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
PubChem CID107985209
Molecular FormulaC14H12Br2FN
Molecular Weight373.06 g/mol
Exact Mass370.93
IUPAC Name(5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2cc(Br)ccc2F)c1Br
InChIInChI=1S/C14H12Br2FN/c1-8-3-2-4-10(13(8)16)14(18)11-7-9(15)5-6-12(11)17/h2-7,14H,18H2,1H3
InChIKeyZLLYWTVUEWNXCB-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

(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107982138
(2-bromo-3-methylphenyl)-(4-fluoronaphthalen-1-yl)methanamine
CID 107982030
(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985569
(2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 107981990
(2-bromo-3-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 107982155
(5-bromo-2-fluorophenyl)-(2-methylthiophen-3-yl)methanamine
CID 102834092
(3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine
CID 106647803
(2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine
CID 107538762
(5-bromo-2-fluorophenyl)-(2-methylphenyl)methanol
CID 63894128
(5-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105011918
(4-bromo-2,5-difluorophenyl)-(5-bromo-2-methylphenyl)methanamine
CID 65307701
(5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344673

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine?
The IUPAC name of (5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine (CID 107985209) is (5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine is Cc1cccc(C(N)c2cc(Br)ccc2F)c1Br.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine?
The InChIKey is ZLLYWTVUEWNXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FN/c1-8-3-2-4-10(13(8)16)14(18)11-7-9(15)5-6-12(11)17/h2-7,14H,18H2,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine?
(5-bromo-2-fluorophenyl)-(2-bromo-3-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 (5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine is sourced from PubChem (CID 107985209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).