(2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine

C15H14Br2FNO2 — CID 114369086

IUPAC(2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2cc(Br)ccc2Br)cc1OC
InChIInChI=1S/C15H14Br2FNO2/c1-20-13-6-10(12(18)7-14(13)21-2)15(19)9-5-8(16)3-4-11(9)17/h3-7,15H,19H2,1-2H3
InChIKeyUOECOSCFTNRVKE-UHFFFAOYSA-N
MW419.09 g/mol
LogP4.42
Rot. Bonds4

About (2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine

(2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine (PubChem CID 114369086) has the molecular formula C15H14Br2FNO2 and a molecular weight of 419.09 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
PubChem CID114369086
Molecular FormulaC15H14Br2FNO2
Molecular Weight419.09 g/mol
Exact Mass416.94
IUPAC Name(2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2cc(Br)ccc2Br)cc1OC
InChIInChI=1S/C15H14Br2FNO2/c1-20-13-6-10(12(18)7-14(13)21-2)15(19)9-5-8(16)3-4-11(9)17/h3-7,15H,19H2,1-2H3
InChIKeyUOECOSCFTNRVKE-UHFFFAOYSA-N
XLogP4.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.09
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine
CID 114368828
(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867793
(2,5-dibromophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283090
(2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 65433424
(4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 43330541
(4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 115369006
(2,5-dibromophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
CID 114369246
(2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867795
(4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62865509
(2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine
CID 43118265
(4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 62867464
(2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 106861063

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The IUPAC name of (2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine (CID 114369086) is (2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for (2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The canonical SMILES for (2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine is COc1cc(F)c(C(N)c2cc(Br)ccc2Br)cc1OC.
What is the InChIKey of (2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The InChIKey is UOECOSCFTNRVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FNO2/c1-20-13-6-10(12(18)7-14(13)21-2)15(19)9-5-8(16)3-4-11(9)17/h3-7,15H,19H2,1-2H3.
What are the key properties of (2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
(2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine has a molecular weight of 419.09 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 114369086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).