2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine

C13H13Cl2NO — CID 107308555

IUPAC2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1Cl)c1ccco1
InChIInChI=1S/C13H13Cl2NO/c1-16-11(12-6-3-7-17-12)8-9-4-2-5-10(14)13(9)15/h2-7,11,16H,8H2,1H3
InChIKeyBKOSVAYTCKOLTQ-UHFFFAOYSA-N
MW270.16 g/mol
LogP4.09
Rot. Bonds4

About 2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine

2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine (PubChem CID 107308555) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine
PubChem CID107308555
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC Name2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1Cl)c1ccco1
InChIInChI=1S/C13H13Cl2NO/c1-16-11(12-6-3-7-17-12)8-9-4-2-5-10(14)13(9)15/h2-7,11,16H,8H2,1H3
InChIKeyBKOSVAYTCKOLTQ-UHFFFAOYSA-N
XLogP4.09
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 82806277
2-(2-chloro-3-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 112653682
[2-(2,3-dichlorophenyl)-1-(furan-2-yl)ethyl]hydrazine
CID 107312622
2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 61080026
2-(2,3-dichlorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 107312240
2-(5-fluoro-2-methylphenyl)-1-(furan-2-yl)-N-methylethanamine
CID 105373840
2-(2,3-dichlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 107312247
1-(4-bromo-3,5-dimethylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
CID 107309145
1-(2,4-dibromophenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
CID 107947209
2-(2,3-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 107311946
1-(furan-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62389574
1-(5-bromo-2-methylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
CID 107312321

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine (CID 107308555) is 2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine is CNC(Cc1cccc(Cl)c1Cl)c1ccco1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine?
The InChIKey is BKOSVAYTCKOLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO/c1-16-11(12-6-3-7-17-12)8-9-4-2-5-10(14)13(9)15/h2-7,11,16H,8H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine?
2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine has a molecular weight of 270.16 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine is sourced from PubChem (CID 107308555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).