2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine

C17H20BrNO2 — CID 115862312

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(N)Cc2cc(OC)ccc2Br)cc1
InChIInChI=1S/C17H20BrNO2/c1-3-21-14-6-4-12(5-7-14)17(19)11-13-10-15(20-2)8-9-16(13)18/h4-10,17H,3,11,19H2,1-2H3
InChIKeyDELOWVSHXLLUCU-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.10
Rot. Bonds6

About 2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine

2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine (PubChem CID 115862312) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine
PubChem CID115862312
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(N)Cc2cc(OC)ccc2Br)cc1
InChIInChI=1S/C17H20BrNO2/c1-3-21-14-6-4-12(5-7-14)17(19)11-13-10-15(20-2)8-9-16(13)18/h4-10,17H,3,11,19H2,1-2H3
InChIKeyDELOWVSHXLLUCU-UHFFFAOYSA-N
XLogP4.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine 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-(2-bromo-5-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 65325066
3-(2-bromo-5-methoxyphenyl)-1,1-diethoxypropan-2-amine
CID 79495380
2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2,5-difluorophenyl)ethanamine
CID 115862152
1-(2-bromo-5-methoxyphenyl)pentan-2-amine
CID 65325502
1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine
CID 115862408
2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 115862161
2-(2-bromo-5-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 115862188
2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)ethanamine
CID 65325566
N-[(2-bromo-5-methoxyphenyl)methyl]-4-ethoxyaniline
CID 65323910
4-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-amine
CID 81013376
3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine
CID 79437673
1-(2-bromo-5-methoxyphenyl)-3-butan-2-ylsulfanylpropan-2-ol
CID 65325108

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine (CID 115862312) is 2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine is CCOc1ccc(C(N)Cc2cc(OC)ccc2Br)cc1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine?
The InChIKey is DELOWVSHXLLUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-3-21-14-6-4-12(5-7-14)17(19)11-13-10-15(20-2)8-9-16(13)18/h4-10,17H,3,11,19H2,1-2H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine?
2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine has a molecular weight of 350.26 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine is sourced from PubChem (CID 115862312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).