1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine

C16H17BrFNO2 — CID 102876103

IUPAC1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccc(OC)cc2F)ccc1Br
InChIInChI=1S/C16H17BrFNO2/c1-19-9-12-7-14(5-6-15(12)17)21-10-11-3-4-13(20-2)8-16(11)18/h3-8,19H,9-10H2,1-2H3
InChIKeyTUZWBOYCBKEDAD-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.90
Rot. Bonds6

About 1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine

1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 102876103) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is 1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID102876103
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Name1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccc(OC)cc2F)ccc1Br
InChIInChI=1S/C16H17BrFNO2/c1-19-9-12-7-14(5-6-15(12)17)21-10-11-3-4-13(20-2)8-16(11)18/h3-8,19H,9-10H2,1-2H3
InChIKeyTUZWBOYCBKEDAD-UHFFFAOYSA-N
XLogP3.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102876842
1-[5-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 102876048
4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluoroaniline
CID 65322368
4-[(2-fluoro-4-methoxyphenyl)methoxy]-N-methylaniline
CID 102878273
1-[3-[(3-bromo-4-fluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457922
(1R)-1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718303
1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 65321998
1-[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880406
4-bromo-3-[(2-fluoro-4-methoxyphenyl)methoxy]aniline
CID 103009094
2-fluoro-6-[(2-fluoro-4-methoxyphenyl)methoxy]naphthalene
CID 139853874
2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene
CID 102876837
1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine
CID 84659103

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine (CID 102876103) is 1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine is CNCc1cc(OCc2ccc(OC)cc2F)ccc1Br.
What is the InChIKey of 1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is TUZWBOYCBKEDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-19-9-12-7-14(5-6-15(12)17)21-10-11-3-4-13(20-2)8-16(11)18/h3-8,19H,9-10H2,1-2H3.
What are the key properties of 1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine?
1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 354.22 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 102876103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).