2-(2,3-dichlorophenoxy)-N-(furan-3-ylmethyl)ethanamine

C13H13Cl2NO2 — CID 62598874

IUPAC2-(2,3-dichlorophenoxy)-N-(furan-3-ylmethyl)ethanamine
SMILESClc1cccc(OCCNCc2ccoc2)c1Cl
InChIInChI=1S/C13H13Cl2NO2/c14-11-2-1-3-12(13(11)15)18-7-5-16-8-10-4-6-17-9-10/h1-4,6,9,16H,5,7-8H2
InChIKeyJDVUZJNDRSIPJU-UHFFFAOYSA-N
MW286.16 g/mol
LogP3.76
Rot. Bonds6

About 2-(2,3-dichlorophenoxy)-N-(furan-3-ylmethyl)ethanamine

2-(2,3-dichlorophenoxy)-N-(furan-3-ylmethyl)ethanamine (PubChem CID 62598874) has the molecular formula C13H13Cl2NO2 and a molecular weight of 286.16 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N-(furan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-N-(furan-3-ylmethyl)ethanamine
PubChem CID62598874
Molecular FormulaC13H13Cl2NO2
Molecular Weight286.16 g/mol
Exact Mass285.03
IUPAC Name2-(2,3-dichlorophenoxy)-N-(furan-3-ylmethyl)ethanamine
SMILESClc1cccc(OCCNCc2ccoc2)c1Cl
InChIInChI=1S/C13H13Cl2NO2/c14-11-2-1-3-12(13(11)15)18-7-5-16-8-10-4-6-17-9-10/h1-4,6,9,16H,5,7-8H2
InChIKeyJDVUZJNDRSIPJU-UHFFFAOYSA-N
XLogP3.76
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2,3-dichlorophenoxy)-N-(furan-3-ylmethyl)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

N-(furan-3-ylmethyl)-2-naphthalen-1-yloxyethanamine
CID 62571544
N-(furan-3-ylmethyl)-2-(2-methylquinolin-8-yl)oxyethanamine
CID 62584312
2-(2-butan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine
CID 62572477
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine
CID 63517054
N-[2-(2,3-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine
CID 62599216
2-[2-(2,3-dichlorophenoxy)ethylamino]acetic acid
CID 94694082
2-(4-tert-butyl-2-methylphenoxy)-N-(furan-3-ylmethyl)ethanamine
CID 62598772
N-[3-(2,3-dichlorophenoxy)propyl]butan-1-amine
CID 2248430
N-(furan-3-ylmethyl)-3-methoxypropan-1-amine
CID 62997873
2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride
CID 71297106
N-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine
CID 115585176
2,6-dichloro-N-(furan-3-ylmethyl)aniline
CID 65468765

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-N-(furan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(2,3-dichlorophenoxy)-N-(furan-3-ylmethyl)ethanamine (CID 62598874) is 2-(2,3-dichlorophenoxy)-N-(furan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N-(furan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-N-(furan-3-ylmethyl)ethanamine is Clc1cccc(OCCNCc2ccoc2)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-N-(furan-3-ylmethyl)ethanamine?
The InChIKey is JDVUZJNDRSIPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO2/c14-11-2-1-3-12(13(11)15)18-7-5-16-8-10-4-6-17-9-10/h1-4,6,9,16H,5,7-8H2.
What are the key properties of 2-(2,3-dichlorophenoxy)-N-(furan-3-ylmethyl)ethanamine?
2-(2,3-dichlorophenoxy)-N-(furan-3-ylmethyl)ethanamine has a molecular weight of 286.16 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-N-(furan-3-ylmethyl)ethanamine is sourced from PubChem (CID 62598874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).