(5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine

C14H10BrF4NO — CID 103394465

IUPAC(5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine
SMILESCOc1cc(F)c(Br)cc1C(N)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H10BrF4NO/c1-21-12-5-9(17)8(15)4-7(12)14(20)13-10(18)2-6(16)3-11(13)19/h2-5,14H,20H2,1H3
InChIKeyDVLCCHDLWLFJSR-UHFFFAOYSA-N
MW364.14 g/mol
LogP4.06
Rot. Bonds3

About (5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine

(5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine (PubChem CID 103394465) has the molecular formula C14H10BrF4NO and a molecular weight of 364.14 g/mol. Its IUPAC name is (5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine
PubChem CID103394465
Molecular FormulaC14H10BrF4NO
Molecular Weight364.14 g/mol
Exact Mass362.99
IUPAC Name(5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine
SMILESCOc1cc(F)c(Br)cc1C(N)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H10BrF4NO/c1-21-12-5-9(17)8(15)4-7(12)14(20)13-10(18)2-6(16)3-11(13)19/h2-5,14H,20H2,1H3
InChIKeyDVLCCHDLWLFJSR-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.14
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 103394484
1-bromo-5-[chloro-(2,4,6-trifluorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396173
(5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
CID 103394434
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 103394303
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine
CID 103394387
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107001449
1-(5-bromo-4-fluoro-2-methoxyphenyl)pentan-1-amine
CID 103394326
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107178298
1-bromo-5-[bromo-(2,6-difluorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396481
1-bromo-5-[bromo-(2-methylcyclopropyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396390
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol
CID 103396069
1-bromo-5-[chloro(cyclopropyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396342

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine (CID 103394465) is (5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for (5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for (5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine is COc1cc(F)c(Br)cc1C(N)c1c(F)cc(F)cc1F.
What is the InChIKey of (5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is DVLCCHDLWLFJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4NO/c1-21-12-5-9(17)8(15)4-7(12)14(20)13-10(18)2-6(16)3-11(13)19/h2-5,14H,20H2,1H3.
What are the key properties of (5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine?
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 364.14 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 103394465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).