2-(4-bromophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride

C15H24BrClN2O — CID 119929603

IUPAC2-(4-bromophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
SMILESCN(CCOc1ccc(Br)cc1)CC1CCNCC1.Cl
InChIInChI=1S/C15H23BrN2O.ClH/c1-18(12-13-6-8-17-9-7-13)10-11-19-15-4-2-14(16)3-5-15;/h2-5,13,17H,6-12H2,1H3;1H
InChIKeyVBVHJCZNXSKDIZ-UHFFFAOYSA-N
MW363.73 g/mol
LogP3.18
Rot. Bonds6

About 2-(4-bromophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride

2-(4-bromophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride (PubChem CID 119929603) has the molecular formula C15H24BrClN2O and a molecular weight of 363.73 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
PubChem CID119929603
Molecular FormulaC15H24BrClN2O
Molecular Weight363.73 g/mol
Exact Mass362.08
IUPAC Name2-(4-bromophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
SMILESCN(CCOc1ccc(Br)cc1)CC1CCNCC1.Cl
InChIInChI=1S/C15H23BrN2O.ClH/c1-18(12-13-6-8-17-9-7-13)10-11-19-15-4-2-14(16)3-5-15;/h2-5,13,17H,6-12H2,1H3;1H
InChIKeyVBVHJCZNXSKDIZ-UHFFFAOYSA-N
XLogP3.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.73
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79704955
2-(3,5-dimethylphenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 79716779
N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929518
4-[2-(4-bromophenoxy)ethyl]piperidine
CID 56830278
N-methyl-2-(4-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929845
2-(5-bromo-2-methylphenyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 115210044
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine
CID 115666053
2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine
CID 63458650
N,N-dimethyl-2-(4-piperidin-4-ylphenoxy)ethanamine;hydrochloride
CID 164705135
2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine
CID 63386918
N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640788
2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine
CID 62860390

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of 2-(4-bromophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride (CID 119929603) is 2-(4-bromophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-bromophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(4-bromophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride is CN(CCOc1ccc(Br)cc1)CC1CCNCC1.Cl.
What is the InChIKey of 2-(4-bromophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride?
The InChIKey is VBVHJCZNXSKDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O.ClH/c1-18(12-13-6-8-17-9-7-13)10-11-19-15-4-2-14(16)3-5-15;/h2-5,13,17H,6-12H2,1H3;1H.
What are the key properties of 2-(4-bromophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride?
2-(4-bromophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride has a molecular weight of 363.73 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 119929603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).