1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine

C15H14BrClFNO — CID 60788480

IUPAC1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1F)c1ccc(OC)cc1Br
InChIInChI=1S/C15H14BrClFNO/c1-19-15(12-5-3-9(17)7-14(12)18)11-6-4-10(20-2)8-13(11)16/h3-8,15,19H,1-2H3
InChIKeyOCYBVTNYPFXPGR-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.56
Rot. Bonds4

About 1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine

1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine (PubChem CID 60788480) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
PubChem CID60788480
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1F)c1ccc(OC)cc1Br
InChIInChI=1S/C15H14BrClFNO/c1-19-15(12-5-3-9(17)7-14(12)18)11-6-4-10(20-2)8-13(11)16/h3-8,15,19H,1-2H3
InChIKeyOCYBVTNYPFXPGR-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43561335
1-(2-bromo-4-chlorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 107987368
(2-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 60786954
1-(2-bromo-4-chlorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 107987636
1-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114906262
1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 107987565
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-(2-chloro-4-methoxyphenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43561902
1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43561945
1-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 106791779
1-(2-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 62278586

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine (CID 60788480) is 1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine is CNC(c1ccc(Cl)cc1F)c1ccc(OC)cc1Br.
What is the InChIKey of 1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine?
The InChIKey is OCYBVTNYPFXPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-19-15(12-5-3-9(17)7-14(12)18)11-6-4-10(20-2)8-13(11)16/h3-8,15,19H,1-2H3.
What are the key properties of 1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine?
1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine has a molecular weight of 358.64 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 60788480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).