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

C15H15BrFNO2 — CID 103523744

IUPAC[3-(3-bromo-2,4-dimethoxyphenyl)-4-fluorophenyl]methanamine
SMILESCOc1ccc(-c2cc(CN)ccc2F)c(OC)c1Br
InChIInChI=1S/C15H15BrFNO2/c1-19-13-6-4-10(15(20-2)14(13)16)11-7-9(8-18)3-5-12(11)17/h3-7H,8,18H2,1-2H3
InChIKeyRZEYRPCCOFYWAA-UHFFFAOYSA-N
MW340.19 g/mol
LogP3.73
Rot. Bonds4

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

[3-(3-bromo-2,4-dimethoxyphenyl)-4-fluorophenyl]methanamine (PubChem CID 103523744) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is [3-(3-bromo-2,4-dimethoxyphenyl)-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(3-bromo-2,4-dimethoxyphenyl)-4-fluorophenyl]methanamine
PubChem CID103523744
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name[3-(3-bromo-2,4-dimethoxyphenyl)-4-fluorophenyl]methanamine
SMILESCOc1ccc(-c2cc(CN)ccc2F)c(OC)c1Br
InChIInChI=1S/C15H15BrFNO2/c1-19-13-6-4-10(15(20-2)14(13)16)11-7-9(8-18)3-5-12(11)17/h3-7H,8,18H2,1-2H3
InChIKeyRZEYRPCCOFYWAA-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-bromo-2,4-dimethoxyphenyl)-4-methylphenyl]methanamine
CID 103523742
[4-fluoro-3-(2,4,6-trimethoxyphenyl)phenyl]methanamine
CID 61032743
[4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine
CID 54910100
2-(3-bromo-2,4-dimethoxyphenyl)-5-fluoroaniline
CID 107626993
[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910650
[3-(2,6-difluoro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910780
2-(3-bromo-2,4-dimethoxyphenyl)-4-chloroaniline
CID 103523654
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
[4-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine
CID 81446939
[4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine
CID 54911954
[3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine
CID 81446738
[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine
CID 116810937

Frequently Asked Questions

What is the IUPAC name of [3-(3-bromo-2,4-dimethoxyphenyl)-4-fluorophenyl]methanamine?
The IUPAC name of [3-(3-bromo-2,4-dimethoxyphenyl)-4-fluorophenyl]methanamine (CID 103523744) is [3-(3-bromo-2,4-dimethoxyphenyl)-4-fluorophenyl]methanamine.
What is the SMILES notation for [3-(3-bromo-2,4-dimethoxyphenyl)-4-fluorophenyl]methanamine?
The canonical SMILES for [3-(3-bromo-2,4-dimethoxyphenyl)-4-fluorophenyl]methanamine is COc1ccc(-c2cc(CN)ccc2F)c(OC)c1Br.
What is the InChIKey of [3-(3-bromo-2,4-dimethoxyphenyl)-4-fluorophenyl]methanamine?
The InChIKey is RZEYRPCCOFYWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c1-19-13-6-4-10(15(20-2)14(13)16)11-7-9(8-18)3-5-12(11)17/h3-7H,8,18H2,1-2H3.
What are the key properties of [3-(3-bromo-2,4-dimethoxyphenyl)-4-fluorophenyl]methanamine?
[3-(3-bromo-2,4-dimethoxyphenyl)-4-fluorophenyl]methanamine has a molecular weight of 340.19 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-bromo-2,4-dimethoxyphenyl)-4-fluorophenyl]methanamine is sourced from PubChem (CID 103523744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).