1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine

C15H18BrNO2 — CID 105177265

IUPAC1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine
SMILESCCNC(Cc1ccco1)c1cc(OC)ccc1Br
InChIInChI=1S/C15H18BrNO2/c1-3-17-15(10-12-5-4-8-19-12)13-9-11(18-2)6-7-14(13)16/h4-9,15,17H,3,10H2,1-2H3
InChIKeyGEDAUBPIZXOBJH-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.94
Rot. Bonds6

About 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine

1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine (PubChem CID 105177265) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine
PubChem CID105177265
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Name1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine
SMILESCCNC(Cc1ccco1)c1cc(OC)ccc1Br
InChIInChI=1S/C15H18BrNO2/c1-3-17-15(10-12-5-4-8-19-12)13-9-11(18-2)6-7-14(13)16/h4-9,15,17H,3,10H2,1-2H3
InChIKeyGEDAUBPIZXOBJH-UHFFFAOYSA-N
XLogP3.94
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(furan-2-yl)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

1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 63528581
1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine
CID 105164999
N-[1-(4-bromo-2-methoxyphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 105029504
1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
CID 105180870
1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 105139946
1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66448295
N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 83174801
1-(3,4-dimethoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 83175883
1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105138866
1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 105138597
N-[1-(2-bromo-5-methoxyphenyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 105139266
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029261

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine (CID 105177265) is 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine is CCNC(Cc1ccco1)c1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine?
The InChIKey is GEDAUBPIZXOBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-3-17-15(10-12-5-4-8-19-12)13-9-11(18-2)6-7-14(13)16/h4-9,15,17H,3,10H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine?
1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine has a molecular weight of 324.22 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 105177265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).