(3-bromo-2,4-dimethoxyphenyl)-(3-bromo-2-fluorophenyl)methanamine

C15H14Br2FNO2 — CID 107950938

IUPAC(3-bromo-2,4-dimethoxyphenyl)-(3-bromo-2-fluorophenyl)methanamine
SMILESCOc1ccc(C(N)c2cccc(Br)c2F)c(OC)c1Br
InChIInChI=1S/C15H14Br2FNO2/c1-20-11-7-6-9(15(21-2)12(11)17)14(19)8-4-3-5-10(16)13(8)18/h3-7,14H,19H2,1-2H3
InChIKeyUHXDFNBKIMOXAY-UHFFFAOYSA-N
MW419.09 g/mol
LogP4.42
Rot. Bonds4

About (3-bromo-2,4-dimethoxyphenyl)-(3-bromo-2-fluorophenyl)methanamine

(3-bromo-2,4-dimethoxyphenyl)-(3-bromo-2-fluorophenyl)methanamine (PubChem CID 107950938) has the molecular formula C15H14Br2FNO2 and a molecular weight of 419.09 g/mol. Its IUPAC name is (3-bromo-2,4-dimethoxyphenyl)-(3-bromo-2-fluorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2,4-dimethoxyphenyl)-(3-bromo-2-fluorophenyl)methanamine
PubChem CID107950938
Molecular FormulaC15H14Br2FNO2
Molecular Weight419.09 g/mol
Exact Mass416.94
IUPAC Name(3-bromo-2,4-dimethoxyphenyl)-(3-bromo-2-fluorophenyl)methanamine
SMILESCOc1ccc(C(N)c2cccc(Br)c2F)c(OC)c1Br
InChIInChI=1S/C15H14Br2FNO2/c1-20-11-7-6-9(15(21-2)12(11)17)14(19)8-4-3-5-10(16)13(8)18/h3-7,14H,19H2,1-2H3
InChIKeyUHXDFNBKIMOXAY-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

(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 106645247
(3-bromo-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 107950245
(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 82106214
(3-bromo-2,4-dimethoxyphenyl)-(2-bromofuran-3-yl)methanamine
CID 106851976
(2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107538884
(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985569
1-[bromo-(3-bromo-2-fluorophenyl)methyl]-3-chloro-2,4-dimethoxybenzene
CID 107959177
(3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114054772
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine
CID 107947115
(4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine
CID 105056511
(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 114906146

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(3-bromo-2-fluorophenyl)methanamine?
The IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(3-bromo-2-fluorophenyl)methanamine (CID 107950938) is (3-bromo-2,4-dimethoxyphenyl)-(3-bromo-2-fluorophenyl)methanamine.
What is the SMILES notation for (3-bromo-2,4-dimethoxyphenyl)-(3-bromo-2-fluorophenyl)methanamine?
The canonical SMILES for (3-bromo-2,4-dimethoxyphenyl)-(3-bromo-2-fluorophenyl)methanamine is COc1ccc(C(N)c2cccc(Br)c2F)c(OC)c1Br.
What is the InChIKey of (3-bromo-2,4-dimethoxyphenyl)-(3-bromo-2-fluorophenyl)methanamine?
The InChIKey is UHXDFNBKIMOXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FNO2/c1-20-11-7-6-9(15(21-2)12(11)17)14(19)8-4-3-5-10(16)13(8)18/h3-7,14H,19H2,1-2H3.
What are the key properties of (3-bromo-2,4-dimethoxyphenyl)-(3-bromo-2-fluorophenyl)methanamine?
(3-bromo-2,4-dimethoxyphenyl)-(3-bromo-2-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 (3-bromo-2,4-dimethoxyphenyl)-(3-bromo-2-fluorophenyl)methanamine is sourced from PubChem (CID 107950938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).