N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine

C15H17NOS — CID 62091395

IUPACN-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(NC1CCOc2ccccc21)c1ccsc1
InChIInChI=1S/C15H17NOS/c1-11(12-7-9-18-10-12)16-14-6-8-17-15-5-3-2-4-13(14)15/h2-5,7,9-11,14,16H,6,8H2,1H3
InChIKeyKZHQPDUUOLHGFX-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.92
Rot. Bonds3

About N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine

N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 62091395) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID62091395
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC NameN-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(NC1CCOc2ccccc21)c1ccsc1
InChIInChI=1S/C15H17NOS/c1-11(12-7-9-18-10-12)16-14-6-8-17-15-5-3-2-4-13(14)15/h2-5,7,9-11,14,16H,6,8H2,1H3
InChIKeyKZHQPDUUOLHGFX-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine 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-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81367470
4-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]benzonitrile
CID 43692400
N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81364817
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81366354
4,4-dimethyl-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-naphthalen-1-amine
CID 62841312
N-(1-thiophen-3-ylethyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 62841161
N-(2-methyl-1-thiophen-2-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 43722981
4-bromo-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 103901794
3-(1-thiophen-3-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62840280
N-[1-(1H-pyrazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 54881846
6-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 126808880
N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63842967

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine (CID 62091395) is N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine is CC(NC1CCOc2ccccc21)c1ccsc1.
What is the InChIKey of N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is KZHQPDUUOLHGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11(12-7-9-18-10-12)16-14-6-8-17-15-5-3-2-4-13(14)15/h2-5,7,9-11,14,16H,6,8H2,1H3.
What are the key properties of N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine?
N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 259.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 62091395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).