1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine

C15H13BrF3NO — CID 103302420

IUPAC1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
SMILESCNC(c1cc(F)c(F)cc1F)c1ccc(Br)cc1OC
InChIInChI=1S/C15H13BrF3NO/c1-20-15(9-4-3-8(16)5-14(9)21-2)10-6-12(18)13(19)7-11(10)17/h3-7,15,20H,1-2H3
InChIKeyQJWNLMIJMJPLTF-UHFFFAOYSA-N
MW360.17 g/mol
LogP4.18
Rot. Bonds4

About 1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine

1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine (PubChem CID 103302420) has the molecular formula C15H13BrF3NO and a molecular weight of 360.17 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
PubChem CID103302420
Molecular FormulaC15H13BrF3NO
Molecular Weight360.17 g/mol
Exact Mass359.01
IUPAC Name1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
SMILESCNC(c1cc(F)c(F)cc1F)c1ccc(Br)cc1OC
InChIInChI=1S/C15H13BrF3NO/c1-20-15(9-4-3-8(16)5-14(9)21-2)10-6-12(18)13(19)7-11(10)17/h3-7,15,20H,1-2H3
InChIKeyQJWNLMIJMJPLTF-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2,5-difluorophenyl)-1-(4-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 115368993
1-(4-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 115368891
1-(4-bromo-2-methoxyphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 115368888
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302180
(4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303339
1-(5-bromo-2-chlorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302141
1-(4-bromo-2-fluorophenyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
CID 43481987
1-(4-bromo-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545947
1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102840619
1-(4-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 115368972
1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine
CID 43480054
1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 43482234

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine (CID 103302420) is 1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine is CNC(c1cc(F)c(F)cc1F)c1ccc(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine?
The InChIKey is QJWNLMIJMJPLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3NO/c1-20-15(9-4-3-8(16)5-14(9)21-2)10-6-12(18)13(19)7-11(10)17/h3-7,15,20H,1-2H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine?
1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine has a molecular weight of 360.17 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 103302420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).