1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine

C15H14BrClFNO — CID 43480054

IUPAC1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)ccc1F)c1cc(Br)ccc1OC
InChIInChI=1S/C15H14BrClFNO/c1-19-15(11-8-10(17)4-5-13(11)18)12-7-9(16)3-6-14(12)20-2/h3-8,15,19H,1-2H3
InChIKeyMORDOKDMOXLKBL-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.56
Rot. Bonds4

About 1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine

1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine (PubChem CID 43480054) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine
PubChem CID43480054
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)ccc1F)c1cc(Br)ccc1OC
InChIInChI=1S/C15H14BrClFNO/c1-19-15(11-8-10(17)4-5-13(11)18)12-7-9(16)3-6-14(12)20-2/h3-8,15,19H,1-2H3
InChIKeyMORDOKDMOXLKBL-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-(4-bromo-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545947
1-(5-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545863
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 43480017
1-(5-bromo-2-methoxyphenyl)-1-(4-chloro-3-fluorophenyl)-N-methylmethanamine
CID 107998570
1-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 43479930
1-(3-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 107950307
1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62919212
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 62789375
1-(4-bromo-2-methoxyphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 115368888
1-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43561335
1-(5-bromo-2-ethoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 43487331
1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 104545899

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine (CID 43480054) is 1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine is CNC(c1cc(Cl)ccc1F)c1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine?
The InChIKey is MORDOKDMOXLKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-19-15(11-8-10(17)4-5-13(11)18)12-7-9(16)3-6-14(12)20-2/h3-8,15,19H,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine?
1-(5-bromo-2-methoxyphenyl)-1-(5-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-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43480054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).