(2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine

C14H12Br2FNO — CID 65433424

IUPAC(2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine
SMILESCOc1cccc(F)c1C(N)c1cc(Br)ccc1Br
InChIInChI=1S/C14H12Br2FNO/c1-19-12-4-2-3-11(17)13(12)14(18)9-7-8(15)5-6-10(9)16/h2-7,14H,18H2,1H3
InChIKeyBYLMCAKROMKFEO-UHFFFAOYSA-N
MW389.06 g/mol
LogP4.41
Rot. Bonds3

About (2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine

(2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine (PubChem CID 65433424) has the molecular formula C14H12Br2FNO and a molecular weight of 389.06 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine
PubChem CID65433424
Molecular FormulaC14H12Br2FNO
Molecular Weight389.06 g/mol
Exact Mass386.93
IUPAC Name(2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine
SMILESCOc1cccc(F)c1C(N)c1cc(Br)ccc1Br
InChIInChI=1S/C14H12Br2FNO/c1-19-12-4-2-3-11(17)13(12)14(18)9-7-8(15)5-6-10(9)16/h2-7,14H,18H2,1H3
InChIKeyBYLMCAKROMKFEO-UHFFFAOYSA-N
XLogP4.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.06
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-5-chloro-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 105398478
(2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 114369086
(2,5-dibromophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283090
(2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine
CID 114368828
(2-fluoro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 65434780
(5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82814873
(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122336
2-bromo-1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-4-methoxybenzene
CID 65433099
(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301943
1-bromo-5-[bromo-(2,6-difluorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396481
(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 114906146
(3-bromo-2,6-difluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
CID 106943162

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine?
The IUPAC name of (2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine (CID 65433424) is (2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine.
What is the SMILES notation for (2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine?
The canonical SMILES for (2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine is COc1cccc(F)c1C(N)c1cc(Br)ccc1Br.
What is the InChIKey of (2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine?
The InChIKey is BYLMCAKROMKFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FNO/c1-19-12-4-2-3-11(17)13(12)14(18)9-7-8(15)5-6-10(9)16/h2-7,14H,18H2,1H3.
What are the key properties of (2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine?
(2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine has a molecular weight of 389.06 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine is sourced from PubChem (CID 65433424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).