2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine

C16H24BrNO2 — CID 116765623

IUPAC2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
SMILESCCOC1(C(Cc2cccc(Br)c2)NC)CCOCC1
InChIInChI=1S/C16H24BrNO2/c1-3-20-16(7-9-19-10-8-16)15(18-2)12-13-5-4-6-14(17)11-13/h4-6,11,15,18H,3,7-10,12H2,1-2H3
InChIKeyDLRVWWGMBAKVDQ-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.17
Rot. Bonds6

About 2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine

2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine (PubChem CID 116765623) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
PubChem CID116765623
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
SMILESCCOC1(C(Cc2cccc(Br)c2)NC)CCOCC1
InChIInChI=1S/C16H24BrNO2/c1-3-20-16(7-9-19-10-8-16)15(18-2)12-13-5-4-6-14(17)11-13/h4-6,11,15,18H,3,7-10,12H2,1-2H3
InChIKeyDLRVWWGMBAKVDQ-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

Analyze 2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764666
2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765716
2-(4-bromo-2-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765561
N-[2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
CID 116765144
2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770088
1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116762035
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine
CID 116765885
2-(2-chloro-4-methylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 106868855
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765587
2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763865
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine (CID 116765623) is 2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine is CCOC1(C(Cc2cccc(Br)c2)NC)CCOCC1.
What is the InChIKey of 2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine?
The InChIKey is DLRVWWGMBAKVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-3-20-16(7-9-19-10-8-16)15(18-2)12-13-5-4-6-14(17)11-13/h4-6,11,15,18H,3,7-10,12H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine?
2-(3-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-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine is sourced from PubChem (CID 116765623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).