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

C16H19NOS — CID 104523855

IUPAC3-methyl-N-(1-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(NC1c2ccccc2OCC1C)c1cccs1
InChIInChI=1S/C16H19NOS/c1-11-10-18-14-7-4-3-6-13(14)16(11)17-12(2)15-8-5-9-19-15/h3-9,11-12,16-17H,10H2,1-2H3
InChIKeyAHMCEGQVDDNAJJ-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.17
Rot. Bonds3

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

3-methyl-N-(1-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104523855) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 3-methyl-N-(1-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-methyl-N-(1-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104523855
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name3-methyl-N-(1-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(NC1c2ccccc2OCC1C)c1cccs1
InChIInChI=1S/C16H19NOS/c1-11-10-18-14-7-4-3-6-13(14)16(11)17-12(2)15-8-5-9-19-15/h3-9,11-12,16-17H,10H2,1-2H3
InChIKeyAHMCEGQVDDNAJJ-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-(1-thiophen-2-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

3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine
CID 104524329
N-[(1R)-1-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524304
3-[1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol
CID 104523999
3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 104523746
N-[(1R)-1-cyclohexylethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524318
N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
CID 104524073
4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol
CID 113422664
methyl (2S)-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanoate
CID 104523978
3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104523757
3-methyl-N-(2-propan-2-ylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 104524355
N-(2-methyl-1-thiophen-2-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 43722981
2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine
CID 82814846

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-methyl-N-(1-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-4-amine (CID 104523855) is 3-methyl-N-(1-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-methyl-N-(1-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-methyl-N-(1-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-4-amine is CC(NC1c2ccccc2OCC1C)c1cccs1.
What is the InChIKey of 3-methyl-N-(1-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is AHMCEGQVDDNAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-11-10-18-14-7-4-3-6-13(14)16(11)17-12(2)15-8-5-9-19-15/h3-9,11-12,16-17H,10H2,1-2H3.
What are the key properties of 3-methyl-N-(1-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-4-amine?
3-methyl-N-(1-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 273.40 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104523855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).