[2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine

C16H17BrFNO2 — CID 60879448

IUPAC[2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine
SMILESCCOc1cccc(CN)c1OCc1cc(Br)ccc1F
InChIInChI=1S/C16H17BrFNO2/c1-2-20-15-5-3-4-11(9-19)16(15)21-10-12-8-13(17)6-7-14(12)18/h3-8H,2,9-10,19H2,1H3
InChIKeyKQHMWCBKQONVBY-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.02
Rot. Bonds6

About [2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine

[2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine (PubChem CID 60879448) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is [2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine
PubChem CID60879448
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Name[2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine
SMILESCCOc1cccc(CN)c1OCc1cc(Br)ccc1F
InChIInChI=1S/C16H17BrFNO2/c1-2-20-15-5-3-4-11(9-19)16(15)21-10-12-8-13(17)6-7-14(12)18/h3-8H,2,9-10,19H2,1H3
InChIKeyKQHMWCBKQONVBY-UHFFFAOYSA-N
XLogP4.02
TPSA44.48 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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine with MolForge

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Related Compounds

2-[(5-bromo-2-fluorophenyl)methoxy]-1-(chloromethyl)-3-ethoxybenzene
CID 43366805
[2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
CID 112607692
[2-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 103046926
2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-dimethylbenzene
CID 83057703
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607529
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
CID 112607867
1-[2-[(5-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 115952475
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-ethoxybenzene
CID 43659013
[3-ethoxy-2-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 43366673
[3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60880025
2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine
CID 60905689

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine?
The IUPAC name of [2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine (CID 60879448) is [2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine.
What is the SMILES notation for [2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine?
The canonical SMILES for [2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine is CCOc1cccc(CN)c1OCc1cc(Br)ccc1F.
What is the InChIKey of [2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine?
The InChIKey is KQHMWCBKQONVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-2-20-15-5-3-4-11(9-19)16(15)21-10-12-8-13(17)6-7-14(12)18/h3-8H,2,9-10,19H2,1H3.
What are the key properties of [2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine?
[2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine has a molecular weight of 354.22 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine is sourced from PubChem (CID 60879448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).