1-(3-bromo-4-methoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine

C15H15BrFNO — CID 43479966

IUPAC1-(3-bromo-4-methoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(F)c1)c1ccc(OC)c(Br)c1
InChIInChI=1S/C15H15BrFNO/c1-18-15(10-4-3-5-12(17)8-10)11-6-7-14(19-2)13(16)9-11/h3-9,15,18H,1-2H3
InChIKeyCSOGJMVRPROCLJ-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.91
Rot. Bonds4

About 1-(3-bromo-4-methoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine

1-(3-bromo-4-methoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine (PubChem CID 43479966) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
PubChem CID43479966
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name1-(3-bromo-4-methoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(F)c1)c1ccc(OC)c(Br)c1
InChIInChI=1S/C15H15BrFNO/c1-18-15(10-4-3-5-12(17)8-10)11-6-7-14(19-2)13(16)9-11/h3-9,15,18H,1-2H3
InChIKeyCSOGJMVRPROCLJ-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

1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 43485047
1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43479980
1-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 43479930
1-(5-bromofuran-2-yl)-1-(3-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 43479896
[(3-bromo-4-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine
CID 105330905
1-(3-fluorophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065221
1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 43487402
1-(3-bromo-4-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43479934
1-(3-bromo-4-ethoxyphenyl)-1-(4-bromo-3-fluorophenyl)-N-methylmethanamine
CID 104657518
1-(3-bromo-4-methylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025066
[(3-bromo-4-methoxyphenyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302505
N-[(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine
CID 43487803

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine (CID 43479966) is 1-(3-bromo-4-methoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine is CNC(c1cccc(F)c1)c1ccc(OC)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine?
The InChIKey is CSOGJMVRPROCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-18-15(10-4-3-5-12(17)8-10)11-6-7-14(19-2)13(16)9-11/h3-9,15,18H,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine?
1-(3-bromo-4-methoxyphenyl)-1-(3-fluorophenyl)-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-(3-bromo-4-methoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43479966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).