2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine

C16H16ClNOS — CID 104542641

IUPAC2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESNC(CSc1ccccc1Cl)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H16ClNOS/c17-13-3-1-2-4-16(13)20-10-14(18)11-5-6-15-12(9-11)7-8-19-15/h1-6,9,14H,7-8,10,18H2
InChIKeyNZLILCUEZCFOMK-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.07
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine

2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine (PubChem CID 104542641) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
PubChem CID104542641
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESNC(CSc1ccccc1Cl)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H16ClNOS/c17-13-3-1-2-4-16(13)20-10-14(18)11-5-6-15-12(9-11)7-8-19-15/h1-6,9,14H,7-8,10,18H2
InChIKeyNZLILCUEZCFOMK-UHFFFAOYSA-N
XLogP4.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenyl)sulfanyl-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)ethanamine
CID 63046819
(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
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-4-phenylbutan-1-amine
CID 794253
(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-chlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105211193
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 105006924
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
CID 86262922
(1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride
CID 171202488
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine (CID 104542641) is 2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine is NC(CSc1ccccc1Cl)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The InChIKey is NZLILCUEZCFOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c17-13-3-1-2-4-16(13)20-10-14(18)11-5-6-15-12(9-11)7-8-19-15/h1-6,9,14H,7-8,10,18H2.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine?
2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine has a molecular weight of 305.83 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine is sourced from PubChem (CID 104542641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).