2-(2,3-dichlorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine

C14H15Cl2NO — CID 107308628

IUPAC2-(2,3-dichlorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1Cl)c1ccoc1
InChIInChI=1S/C14H15Cl2NO/c1-2-17-13(11-6-7-18-9-11)8-10-4-3-5-12(15)14(10)16/h3-7,9,13,17H,2,8H2,1H3
InChIKeyLCYPSGXRKBBSHS-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.48
Rot. Bonds5

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

2-(2,3-dichlorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine (PubChem CID 107308628) has the molecular formula C14H15Cl2NO and a molecular weight of 284.19 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine
PubChem CID107308628
Molecular FormulaC14H15Cl2NO
Molecular Weight284.19 g/mol
Exact Mass283.05
IUPAC Name2-(2,3-dichlorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1Cl)c1ccoc1
InChIInChI=1S/C14H15Cl2NO/c1-2-17-13(11-6-7-18-9-11)8-10-4-3-5-12(15)14(10)16/h3-7,9,13,17H,2,8H2,1H3
InChIKeyLCYPSGXRKBBSHS-UHFFFAOYSA-N
XLogP4.48
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine?
The IUPAC name of 2-(2,3-dichlorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine (CID 107308628) is 2-(2,3-dichlorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine is CCNC(Cc1cccc(Cl)c1Cl)c1ccoc1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine?
The InChIKey is LCYPSGXRKBBSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO/c1-2-17-13(11-6-7-18-9-11)8-10-4-3-5-12(15)14(10)16/h3-7,9,13,17H,2,8H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine?
2-(2,3-dichlorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine has a molecular weight of 284.19 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine is sourced from PubChem (CID 107308628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).