2-[3-bromo-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine

C16H25BrN2O — CID 107913194

IUPAC2-[3-bromo-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine
SMILESCN1CCCCC1CCOc1ccc(CCN)cc1Br
InChIInChI=1S/C16H25BrN2O/c1-19-10-3-2-4-14(19)8-11-20-16-6-5-13(7-9-18)12-15(16)17/h5-6,12,14H,2-4,7-11,18H2,1H3
InChIKeyVOZATPNTXMMCES-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.20
Rot. Bonds6

About 2-[3-bromo-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine

2-[3-bromo-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine (PubChem CID 107913194) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-[3-bromo-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-bromo-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine
PubChem CID107913194
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name2-[3-bromo-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine
SMILESCN1CCCCC1CCOc1ccc(CCN)cc1Br
InChIInChI=1S/C16H25BrN2O/c1-19-10-3-2-4-14(19)8-11-20-16-6-5-13(7-9-18)12-15(16)17/h5-6,12,14H,2-4,7-11,18H2,1H3
InChIKeyVOZATPNTXMMCES-UHFFFAOYSA-N
XLogP3.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
CID 107911011
2-[3,5-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine
CID 107913173
3-chloro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
CID 61102885
2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1-methylpiperidine
CID 107912332
[2-bromo-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 114879953
1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine
CID 20738685
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 61102124
5-bromo-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzenecarbothioamide
CID 114892254
3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarbothioamide
CID 107912273
3-chloro-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzonitrile
CID 103603446
3-fluoro-N'-hydroxy-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912481

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-bromo-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine (CID 107913194) is 2-[3-bromo-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-bromo-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-bromo-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine is CN1CCCCC1CCOc1ccc(CCN)cc1Br.
What is the InChIKey of 2-[3-bromo-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine?
The InChIKey is VOZATPNTXMMCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-19-10-3-2-4-14(19)8-11-20-16-6-5-13(7-9-18)12-15(16)17/h5-6,12,14H,2-4,7-11,18H2,1H3.
What are the key properties of 2-[3-bromo-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine?
2-[3-bromo-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine has a molecular weight of 341.29 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 107913194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).