1-[2-bromo-5-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine

C16H25BrN2O — CID 107911135

IUPAC1-[2-bromo-5-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(OCCC2CCCCN2C)ccc1Br
InChIInChI=1S/C16H25BrN2O/c1-18-12-13-11-15(6-7-16(13)17)20-10-8-14-5-3-4-9-19(14)2/h6-7,11,14,18H,3-5,8-10,12H2,1-2H3
InChIKeyKVGCRXNYDLMATJ-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.42
Rot. Bonds6

About 1-[2-bromo-5-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine

1-[2-bromo-5-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 107911135) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-[2-bromo-5-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-bromo-5-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine
PubChem CID107911135
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-[2-bromo-5-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(OCCC2CCCCN2C)ccc1Br
InChIInChI=1S/C16H25BrN2O/c1-18-12-13-11-15(6-7-16(13)17)20-10-8-14-5-3-4-9-19(14)2/h6-7,11,14,18H,3-5,8-10,12H2,1-2H3
InChIKeyKVGCRXNYDLMATJ-UHFFFAOYSA-N
XLogP3.42
TPSA24.50 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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
1-[3-fluoro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine
CID 107911149
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
6-[2-(1-methylpiperidin-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 21287501
4-bromo-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
CID 107911011
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
[2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 81279315
2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 54248259
(1R)-1-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol
CID 107912832
(1R)-1-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol
CID 107912877
3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 107913129

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-bromo-5-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine (CID 107911135) is 1-[2-bromo-5-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-bromo-5-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-bromo-5-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine is CNCc1cc(OCCC2CCCCN2C)ccc1Br.
What is the InChIKey of 1-[2-bromo-5-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is KVGCRXNYDLMATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-18-12-13-11-15(6-7-16(13)17)20-10-8-14-5-3-4-9-19(14)2/h6-7,11,14,18H,3-5,8-10,12H2,1-2H3.
What are the key properties of 1-[2-bromo-5-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine?
1-[2-bromo-5-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 341.29 g/mol, XLogP of 3.42, 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-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 107911135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).