(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine

C14H12BrF2NO — CID 103394484

IUPAC(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine
SMILESCOc1cc(F)c(Br)cc1C(N)c1ccc(F)cc1
InChIInChI=1S/C14H12BrF2NO/c1-19-13-7-12(17)11(15)6-10(13)14(18)8-2-4-9(16)5-3-8/h2-7,14H,18H2,1H3
InChIKeyMTLMYFPZZGCTDV-UHFFFAOYSA-N
MW328.16 g/mol
LogP3.78
Rot. Bonds3

About (5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine

(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine (PubChem CID 103394484) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is (5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine
PubChem CID103394484
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine
SMILESCOc1cc(F)c(Br)cc1C(N)c1ccc(F)cc1
InChIInChI=1S/C14H12BrF2NO/c1-19-13-7-12(17)11(15)6-10(13)14(18)8-2-4-9(16)5-3-8/h2-7,14H,18H2,1H3
InChIKeyMTLMYFPZZGCTDV-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol
CID 103396069
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 103394465
(5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
CID 103394434
(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107950673
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 103394303
1-bromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene
CID 103396203
(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79215718
(4-bromo-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545787
4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 116936753
(4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 105056617
(5-fluoro-2-methoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43122364
(2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283015

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine?
The IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine (CID 103394484) is (5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine.
What is the SMILES notation for (5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine?
The canonical SMILES for (5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine is COc1cc(F)c(Br)cc1C(N)c1ccc(F)cc1.
What is the InChIKey of (5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine?
The InChIKey is MTLMYFPZZGCTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c1-19-13-7-12(17)11(15)6-10(13)14(18)8-2-4-9(16)5-3-8/h2-7,14H,18H2,1H3.
What are the key properties of (5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine?
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine has a molecular weight of 328.16 g/mol, XLogP of 3.78, 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)-(4-fluorophenyl)methanamine is sourced from PubChem (CID 103394484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).