2-(4-bromo-2-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine

C16H23BrClNO2 — CID 116765561

IUPAC2-(4-bromo-2-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
SMILESCCOC1(C(Cc2ccc(Br)cc2Cl)NC)CCOCC1
InChIInChI=1S/C16H23BrClNO2/c1-3-21-16(6-8-20-9-7-16)15(19-2)10-12-4-5-13(17)11-14(12)18/h4-5,11,15,19H,3,6-10H2,1-2H3
InChIKeyANYRUUJRGDERIX-UHFFFAOYSA-N
MW376.72 g/mol
LogP3.82
Rot. Bonds6

About 2-(4-bromo-2-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine

2-(4-bromo-2-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine (PubChem CID 116765561) has the molecular formula C16H23BrClNO2 and a molecular weight of 376.72 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
PubChem CID116765561
Molecular FormulaC16H23BrClNO2
Molecular Weight376.72 g/mol
Exact Mass375.06
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
SMILESCCOC1(C(Cc2ccc(Br)cc2Cl)NC)CCOCC1
InChIInChI=1S/C16H23BrClNO2/c1-3-21-16(6-8-20-9-7-16)15(19-2)10-12-4-5-13(17)11-14(12)18/h4-5,11,15,19H,3,6-10H2,1-2H3
InChIKeyANYRUUJRGDERIX-UHFFFAOYSA-N
XLogP3.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.72
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 106868855
2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765716
[2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]hydrazine
CID 105276609
2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765623
[2-(2,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine
CID 105276920
2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764303
2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761557
2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116761862
2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763846
2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116762033
1-(4-bromo-2-chlorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743685
2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764666

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine (CID 116765561) is 2-(4-bromo-2-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine is CCOC1(C(Cc2ccc(Br)cc2Cl)NC)CCOCC1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine?
The InChIKey is ANYRUUJRGDERIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClNO2/c1-3-21-16(6-8-20-9-7-16)15(19-2)10-12-4-5-13(17)11-14(12)18/h4-5,11,15,19H,3,6-10H2,1-2H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine?
2-(4-bromo-2-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine has a molecular weight of 376.72 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine is sourced from PubChem (CID 116765561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).