1-(2-bromo-4-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine

C15H13BrF3NO — CID 60965991

IUPAC1-(2-bromo-4-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1Br)c1c(F)cc(OC)cc1F
InChIInChI=1S/C15H13BrF3NO/c1-20-15(10-4-3-8(17)5-11(10)16)14-12(18)6-9(21-2)7-13(14)19/h3-7,15,20H,1-2H3
InChIKeyVKZDXRWRHXMPOO-UHFFFAOYSA-N
MW360.17 g/mol
LogP4.18
Rot. Bonds4

About 1-(2-bromo-4-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine

1-(2-bromo-4-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 60965991) has the molecular formula C15H13BrF3NO and a molecular weight of 360.17 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID60965991
Molecular FormulaC15H13BrF3NO
Molecular Weight360.17 g/mol
Exact Mass359.01
IUPAC Name1-(2-bromo-4-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1Br)c1c(F)cc(OC)cc1F
InChIInChI=1S/C15H13BrF3NO/c1-20-15(10-4-3-8(17)5-11(10)16)14-12(18)6-9(21-2)7-13(14)19/h3-7,15,20H,1-2H3
InChIKeyVKZDXRWRHXMPOO-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

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Related Compounds

1-(2-bromo-4-fluorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 105052115
1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 115793404
1-(2,5-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60966402
1-(2-bromo-4-fluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877923
1-(5-chloro-2-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60964483
1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60966548
1-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 65433731
1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 60788480
1-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43480979
1-(2,4-dibromophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 107945698
1-(2-bromo-5-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482821
1-(2-bromo-4-chlorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 107987368

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine (CID 60965991) is 1-(2-bromo-4-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(F)cc1Br)c1c(F)cc(OC)cc1F.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is VKZDXRWRHXMPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3NO/c1-20-15(10-4-3-8(17)5-11(10)16)14-12(18)6-9(21-2)7-13(14)19/h3-7,15,20H,1-2H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine?
1-(2-bromo-4-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine 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-(2-bromo-4-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 60965991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).