2-(2-bromo-4-chlorophenoxy)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine

C16H24BrClN2O — CID 106632604

IUPAC2-(2-bromo-4-chlorophenoxy)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
SMILESCCN(CCOc1ccc(Cl)cc1Br)CC1CCCCN1
InChIInChI=1S/C16H24BrClN2O/c1-2-20(12-14-5-3-4-8-19-14)9-10-21-16-7-6-13(18)11-15(16)17/h6-7,11,14,19H,2-5,8-10,12H2,1H3
InChIKeyHGMOQDGBIREUBB-UHFFFAOYSA-N
MW375.74 g/mol
LogP3.95
Rot. Bonds7

About 2-(2-bromo-4-chlorophenoxy)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine

2-(2-bromo-4-chlorophenoxy)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine (PubChem CID 106632604) has the molecular formula C16H24BrClN2O and a molecular weight of 375.74 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
PubChem CID106632604
Molecular FormulaC16H24BrClN2O
Molecular Weight375.74 g/mol
Exact Mass374.08
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
SMILESCCN(CCOc1ccc(Cl)cc1Br)CC1CCCCN1
InChIInChI=1S/C16H24BrClN2O/c1-2-20(12-14-5-3-4-8-19-14)9-10-21-16-7-6-13(18)11-15(16)17/h6-7,11,14,19H,2-5,8-10,12H2,1H3
InChIKeyHGMOQDGBIREUBB-UHFFFAOYSA-N
XLogP3.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614950
2-[3-(2-bromo-4-chlorophenoxy)propyl]pyrrolidine
CID 55076617
N-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632404
2-[2-(2-bromo-4-chlorophenoxy)ethyl-ethylamino]ethanol
CID 60685923
(2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine
CID 86320905
2-ethoxy-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 63696688
2-[2-(2-bromo-4-ethylphenoxy)ethyl]piperidine
CID 56829684
N-[2-(3-chlorophenoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616599
(2S)-2-[2-(4-bromo-2-chlorophenoxy)ethyl]piperidine
CID 86320949
(2S)-2-[2-(2-bromo-4-methylphenoxy)ethyl]piperidine
CID 86320918
N-[(2,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603805
N-[(5-bromo-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603284

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine (CID 106632604) is 2-(2-bromo-4-chlorophenoxy)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine is CCN(CCOc1ccc(Cl)cc1Br)CC1CCCCN1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine?
The InChIKey is HGMOQDGBIREUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrClN2O/c1-2-20(12-14-5-3-4-8-19-14)9-10-21-16-7-6-13(18)11-15(16)17/h6-7,11,14,19H,2-5,8-10,12H2,1H3.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine?
2-(2-bromo-4-chlorophenoxy)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine has a molecular weight of 375.74 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106632604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).