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

C15H14BrClFNO2 — CID 43118226

IUPAC(2-bromo-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
SMILESCOc1cc(Br)c(C(N)c2ccc(F)cc2Cl)cc1OC
InChIInChI=1S/C15H14BrClFNO2/c1-20-13-6-10(11(16)7-14(13)21-2)15(19)9-4-3-8(18)5-12(9)17/h3-7,15H,19H2,1-2H3
InChIKeyQIFLUTRVHIYGSX-UHFFFAOYSA-N
MW374.64 g/mol
LogP4.31
Rot. Bonds4

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

(2-bromo-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine (PubChem CID 43118226) has the molecular formula C15H14BrClFNO2 and a molecular weight of 374.64 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
PubChem CID43118226
Molecular FormulaC15H14BrClFNO2
Molecular Weight374.64 g/mol
Exact Mass372.99
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
SMILESCOc1cc(Br)c(C(N)c2ccc(F)cc2Cl)cc1OC
InChIInChI=1S/C15H14BrClFNO2/c1-20-13-6-10(11(16)7-14(13)21-2)15(19)9-4-3-8(18)5-12(9)17/h3-7,15H,19H2,1-2H3
InChIKeyQIFLUTRVHIYGSX-UHFFFAOYSA-N
XLogP4.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.64
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine
CID 43118265
(2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methanamine
CID 43118241
(5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 43149035
1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene
CID 63433300
(2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
CID 61082589
(4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 43330541
(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine
CID 107998531
(2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 106861063
(2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197258
(2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine
CID 114368828
(2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867795
(4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024957

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine (CID 43118226) is (2-bromo-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine is COc1cc(Br)c(C(N)c2ccc(F)cc2Cl)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine?
The InChIKey is QIFLUTRVHIYGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO2/c1-20-13-6-10(11(16)7-14(13)21-2)15(19)9-4-3-8(18)5-12(9)17/h3-7,15H,19H2,1-2H3.
What are the key properties of (2-bromo-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine?
(2-bromo-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine has a molecular weight of 374.64 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine is sourced from PubChem (CID 43118226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).