1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine

C15H15BrFNO — CID 43485696

IUPAC1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1)c1cc(F)ccc1OC
InChIInChI=1S/C15H15BrFNO/c1-18-15(10-3-5-11(16)6-4-10)13-9-12(17)7-8-14(13)19-2/h3-9,15,18H,1-2H3
InChIKeyHBAUPYQENYXKIA-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.91
Rot. Bonds4

About 1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine

1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine (PubChem CID 43485696) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
PubChem CID43485696
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1)c1cc(F)ccc1OC
InChIInChI=1S/C15H15BrFNO/c1-18-15(10-3-5-11(16)6-4-10)13-9-12(17)7-8-14(13)19-2/h3-9,15,18H,1-2H3
InChIKeyHBAUPYQENYXKIA-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(4-bromophenyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine
CID 105192470
1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107946612
1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62919212
1-(5-bromo-2-methoxyphenyl)-1-(4-chloro-3-fluorophenyl)-N-methylmethanamine
CID 107998570
1-(3-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 107950307
[(5-bromo-2-methoxyphenyl)-(4-fluorophenyl)methyl]hydrazine
CID 112742212
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 43480017
1-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43480979
2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 43485689
1-(2-bromo-3,4-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107539013
1-(5-bromo-2-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 43480055
1-(2,6-dichlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 43485716

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine (CID 43485696) is 1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(Br)cc1)c1cc(F)ccc1OC.
What is the InChIKey of 1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine?
The InChIKey is HBAUPYQENYXKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-18-15(10-3-5-11(16)6-4-10)13-9-12(17)7-8-14(13)19-2/h3-9,15,18H,1-2H3.
What are the key properties of 1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine?
1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine has a molecular weight of 324.19 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 43485696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).