(2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine

C15H14Br2FNO2 — CID 43118265

IUPAC(2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine
SMILESCOc1cc(Br)c(C(N)c2ccc(F)cc2Br)cc1OC
InChIInChI=1S/C15H14Br2FNO2/c1-20-13-6-10(12(17)7-14(13)21-2)15(19)9-4-3-8(18)5-11(9)16/h3-7,15H,19H2,1-2H3
InChIKeyYBGXBQBAJTWULM-UHFFFAOYSA-N
MW419.09 g/mol
LogP4.42
Rot. Bonds4

About (2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine

(2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine (PubChem CID 43118265) has the molecular formula C15H14Br2FNO2 and a molecular weight of 419.09 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine
PubChem CID43118265
Molecular FormulaC15H14Br2FNO2
Molecular Weight419.09 g/mol
Exact Mass416.94
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine
SMILESCOc1cc(Br)c(C(N)c2ccc(F)cc2Br)cc1OC
InChIInChI=1S/C15H14Br2FNO2/c1-20-13-6-10(12(17)7-14(13)21-2)15(19)9-4-3-8(18)5-11(9)16/h3-7,15H,19H2,1-2H3
InChIKeyYBGXBQBAJTWULM-UHFFFAOYSA-N
XLogP4.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.09
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 43118226
(2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197258
(2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine
CID 114368828
(2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867795
(2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methanamine
CID 43118241
1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene
CID 63433300
(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867793
(2,4-dibromophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 107950473
(2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
CID 61082589
(2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032943
(2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301576
(2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 114369086

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine (CID 43118265) is (2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine is COc1cc(Br)c(C(N)c2ccc(F)cc2Br)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine?
The InChIKey is YBGXBQBAJTWULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FNO2/c1-20-13-6-10(12(17)7-14(13)21-2)15(19)9-4-3-8(18)5-11(9)16/h3-7,15H,19H2,1-2H3.
What are the key properties of (2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine?
(2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine has a molecular weight of 419.09 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine is sourced from PubChem (CID 43118265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).