[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]-3-methylphenyl]methanamine

C16H17BrFNO2 — CID 104791340

IUPAC[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]-3-methylphenyl]methanamine
SMILESCOc1cccc(COc2c(C)cc(Br)cc2CN)c1F
InChIInChI=1S/C16H17BrFNO2/c1-10-6-13(17)7-12(8-19)16(10)21-9-11-4-3-5-14(20-2)15(11)18/h3-7H,8-9,19H2,1-2H3
InChIKeyKXGAUGBMTUZJMV-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.94
Rot. Bonds5

About [5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]-3-methylphenyl]methanamine

[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]-3-methylphenyl]methanamine (PubChem CID 104791340) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is [5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]-3-methylphenyl]methanamine
PubChem CID104791340
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Name[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]-3-methylphenyl]methanamine
SMILESCOc1cccc(COc2c(C)cc(Br)cc2CN)c1F
InChIInChI=1S/C16H17BrFNO2/c1-10-6-13(17)7-12(8-19)16(10)21-9-11-4-3-5-14(20-2)15(11)18/h3-7H,8-9,19H2,1-2H3
InChIKeyKXGAUGBMTUZJMV-UHFFFAOYSA-N
XLogP3.94
TPSA44.48 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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 104794308
[5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol
CID 115962216
[5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine
CID 104791271
3-[[2-(aminomethyl)-4-bromo-6-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 115960853
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607529
[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 103037907
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
[5-bromo-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 112619888
2-[5-bromo-2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115962640
[2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine
CID 104796178
[2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine
CID 60879448

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]-3-methylphenyl]methanamine?
The IUPAC name of [5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]-3-methylphenyl]methanamine (CID 104791340) is [5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]-3-methylphenyl]methanamine.
What is the SMILES notation for [5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]-3-methylphenyl]methanamine?
The canonical SMILES for [5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]-3-methylphenyl]methanamine is COc1cccc(COc2c(C)cc(Br)cc2CN)c1F.
What is the InChIKey of [5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]-3-methylphenyl]methanamine?
The InChIKey is KXGAUGBMTUZJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-10-6-13(17)7-12(8-19)16(10)21-9-11-4-3-5-14(20-2)15(11)18/h3-7H,8-9,19H2,1-2H3.
What are the key properties of [5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]-3-methylphenyl]methanamine?
[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]-3-methylphenyl]methanamine has a molecular weight of 354.22 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]-3-methylphenyl]methanamine is sourced from PubChem (CID 104791340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).