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

C15H15BrFNO2 — CID 43197258

IUPAC(2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(F)ccc2Br)c(OC)c1
InChIInChI=1S/C15H15BrFNO2/c1-19-10-4-5-11(14(8-10)20-2)15(18)12-7-9(17)3-6-13(12)16/h3-8,15H,18H2,1-2H3
InChIKeySSYDKLLSDFJRDO-UHFFFAOYSA-N
MW340.19 g/mol
LogP3.65
Rot. Bonds4

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

(2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine (PubChem CID 43197258) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
PubChem CID43197258
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name(2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(F)ccc2Br)c(OC)c1
InChIInChI=1S/C15H15BrFNO2/c1-19-10-4-5-11(14(8-10)20-2)15(18)12-7-9(17)3-6-13(12)16/h3-8,15H,18H2,1-2H3
InChIKeySSYDKLLSDFJRDO-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

(2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine
CID 105396903
1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene
CID 63433665
(3-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43248329
(2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032943
(2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine
CID 43118265
(2,4-dimethoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877206
1-bromo-2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-fluorobenzene
CID 63443408
(3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43131080
(4-chloro-2-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197289
(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 43198782
(2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477695
(3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 55240103

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine?
The IUPAC name of (2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine (CID 43197258) is (2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine is COc1ccc(C(N)c2cc(F)ccc2Br)c(OC)c1.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine?
The InChIKey is SSYDKLLSDFJRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c1-19-10-4-5-11(14(8-10)20-2)15(18)12-7-9(17)3-6-13(12)16/h3-8,15H,18H2,1-2H3.
What are the key properties of (2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine?
(2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)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 (2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 43197258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).