(4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine

C15H15BrFNO2 — CID 105056618

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine
SMILESCOc1cc(C(N)c2cccc(F)c2)c(OC)cc1Br
InChIInChI=1S/C15H15BrFNO2/c1-19-13-8-12(16)14(20-2)7-11(13)15(18)9-4-3-5-10(17)6-9/h3-8,15H,18H2,1-2H3
InChIKeyQEHCLZROGAGNQQ-UHFFFAOYSA-N
MW340.19 g/mol
LogP3.65
Rot. Bonds4

About (4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine

(4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine (PubChem CID 105056618) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine
PubChem CID105056618
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine
SMILESCOc1cc(C(N)c2cccc(F)c2)c(OC)cc1Br
InChIInChI=1S/C15H15BrFNO2/c1-19-13-8-12(16)14(20-2)7-11(13)15(18)9-4-3-5-10(17)6-9/h3-8,15H,18H2,1-2H3
InChIKeyQEHCLZROGAGNQQ-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

(4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine
CID 105056511
1-bromo-2-[bromo-(3-fluorophenyl)methyl]-4,5-dimethoxybenzene
CID 63440568
(4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 105056617
(4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine
CID 105056652
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 105056645
1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 43485047
(4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 105056543
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 103394484
(4-bromo-2,5-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanamine
CID 105056613
(2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine
CID 43118265
(3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine
CID 115811290
(3-fluorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 63895832

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine (CID 105056618) is (4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine is COc1cc(C(N)c2cccc(F)c2)c(OC)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine?
The InChIKey is QEHCLZROGAGNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c1-19-13-8-12(16)14(20-2)7-11(13)15(18)9-4-3-5-10(17)6-9/h3-8,15H,18H2,1-2H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine?
(4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)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 (4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine is sourced from PubChem (CID 105056618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).