2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine

C16H15Cl2NO — CID 63046819

IUPAC2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESNC(Cc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H15Cl2NO/c17-13-3-1-10(7-14(13)18)8-15(19)11-2-4-16-12(9-11)5-6-20-16/h1-4,7,9,15H,5-6,8,19H2
InChIKeyYFEQHKOYSZHYAU-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.17
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine

2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine (PubChem CID 63046819) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
PubChem CID63046819
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESNC(Cc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H15Cl2NO/c17-13-3-1-10(7-14(13)18)8-15(19)11-2-4-16-12(9-11)5-6-20-16/h1-4,7,9,15H,5-6,8,19H2
InChIKeyYFEQHKOYSZHYAU-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-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

2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
CID 63044758
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methylphenyl)ethanamine
CID 55068178
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-nitrophenyl)ethanamine
CID 62199762
2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 104542641
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
CID 171202474
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 105034972
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-fluoropropan-1-amine
CID 131499914
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride
CID 86262999
[2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine
CID 103044304
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019746
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methoxyphenyl)ethanamine
CID 61026713

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine (CID 63046819) is 2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine is NC(Cc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The InChIKey is YFEQHKOYSZHYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c17-13-3-1-10(7-14(13)18)8-15(19)11-2-4-16-12(9-11)5-6-20-16/h1-4,7,9,15H,5-6,8,19H2.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine?
2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine has a molecular weight of 308.21 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine is sourced from PubChem (CID 63046819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).