(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine

C15H15BrFNO2 — CID 61032943

IUPAC(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(OC)c(Br)c2)c(F)c1
InChIInChI=1S/C15H15BrFNO2/c1-19-10-4-5-11(13(17)8-10)15(18)9-3-6-14(20-2)12(16)7-9/h3-8,15H,18H2,1-2H3
InChIKeyDTFMVBDHYOJYTK-UHFFFAOYSA-N
MW340.19 g/mol
LogP3.65
Rot. Bonds4

About (3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine

(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine (PubChem CID 61032943) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
PubChem CID61032943
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(OC)c(Br)c2)c(F)c1
InChIInChI=1S/C15H15BrFNO2/c1-19-10-4-5-11(13(17)8-10)15(18)9-3-6-14(20-2)12(16)7-9/h3-8,15H,18H2,1-2H3
InChIKeyDTFMVBDHYOJYTK-UHFFFAOYSA-N
XLogP3.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43131080
(4-bromophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561243
(3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine
CID 43131063
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882911
(2-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220
(S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239584
(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 43561305
(3-bromo-4-ethoxyphenyl)-(2,4-difluorophenyl)methanamine
CID 104657273
(2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561193
2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561298
(2-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 60786954
(3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 81472440

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine (CID 61032943) is (3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine is COc1ccc(C(N)c2ccc(OC)c(Br)c2)c(F)c1.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The InChIKey is DTFMVBDHYOJYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c1-19-10-4-5-11(13(17)8-10)15(18)9-3-6-14(20-2)12(16)7-9/h3-8,15H,18H2,1-2H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine has a molecular weight of 340.19 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 61032943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).