1-(4-bromo-2-fluorophenyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine

C16H17BrFNO2 — CID 43481987

IUPAC1-(4-bromo-2-fluorophenyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1F)c1cc(OC)ccc1OC
InChIInChI=1S/C16H17BrFNO2/c1-19-16(12-6-4-10(17)8-14(12)18)13-9-11(20-2)5-7-15(13)21-3/h4-9,16,19H,1-3H3
InChIKeyIOKDKDOOYUQPGP-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.91
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine

1-(4-bromo-2-fluorophenyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine (PubChem CID 43481987) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
PubChem CID43481987
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Name1-(4-bromo-2-fluorophenyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1F)c1cc(OC)ccc1OC
InChIInChI=1S/C16H17BrFNO2/c1-19-16(12-6-4-10(17)8-14(12)18)13-9-11(20-2)5-7-15(13)21-3/h4-9,16,19H,1-3H3
InChIKeyIOKDKDOOYUQPGP-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545947
1-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43561335
1-(4-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 115368891
N-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine
CID 43487855
1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine
CID 43480054
1-(4-bromo-2,5-difluorophenyl)-1-(4-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 115368993
1-(4-bromo-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114906280
1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302420
[(4-bromo-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine
CID 105280978
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-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 60788480

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine (CID 43481987) is 1-(4-bromo-2-fluorophenyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine is CNC(c1ccc(Br)cc1F)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine?
The InChIKey is IOKDKDOOYUQPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-19-16(12-6-4-10(17)8-14(12)18)13-9-11(20-2)5-7-15(13)21-3/h4-9,16,19H,1-3H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine?
1-(4-bromo-2-fluorophenyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine has a molecular weight of 354.22 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 43481987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).