2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine

C16H24BrNO2 — CID 116765716

IUPAC2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
SMILESCCOC1(C(Cc2ccc(Br)cc2)NC)CCOCC1
InChIInChI=1S/C16H24BrNO2/c1-3-20-16(8-10-19-11-9-16)15(18-2)12-13-4-6-14(17)7-5-13/h4-7,15,18H,3,8-12H2,1-2H3
InChIKeyUBROVEOAQQHIEB-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.17
Rot. Bonds6

About 2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine

2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine (PubChem CID 116765716) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
PubChem CID116765716
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
SMILESCCOC1(C(Cc2ccc(Br)cc2)NC)CCOCC1
InChIInChI=1S/C16H24BrNO2/c1-3-20-16(8-10-19-11-9-16)15(18-2)12-13-4-6-14(17)7-5-13/h4-7,15,18H,3,8-12H2,1-2H3
InChIKeyUBROVEOAQQHIEB-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765623
2-(4-bromo-2-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765561
1-(1-ethoxycyclopentyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 116761943
1-(1-ethoxycycloheptyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 116770809
2-(2-chloro-4-methylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 106868855
2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764666
1-(4-ethoxyoxan-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 116765590
2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116761862
2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763865
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765587
2-(3,4-difluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763856
2-(3-bromo-5-fluorophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764652

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine (CID 116765716) is 2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine is CCOC1(C(Cc2ccc(Br)cc2)NC)CCOCC1.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine?
The InChIKey is UBROVEOAQQHIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-3-20-16(8-10-19-11-9-16)15(18-2)12-13-4-6-14(17)7-5-13/h4-7,15,18H,3,8-12H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine?
2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine has a molecular weight of 342.28 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine is sourced from PubChem (CID 116765716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).