N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine

C15H17NOS — CID 114712166

IUPACN-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2cccs2)Oc2ccccc21
InChIInChI=1S/C15H17NOS/c1-2-16-12-10-14(15-8-5-9-18-15)17-13-7-4-3-6-11(12)13/h3-9,12,14,16H,2,10H2,1H3
InChIKeyQIMPQXKGXOJSCF-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.92
Rot. Bonds3

About N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine

N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712166) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712166
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC NameN-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2cccs2)Oc2ccccc21
InChIInChI=1S/C15H17NOS/c1-2-16-12-10-14(15-8-5-9-18-15)17-13-7-4-3-6-11(12)13/h3-9,12,14,16H,2,10H2,1H3
InChIKeyQIMPQXKGXOJSCF-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

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Related Compounds

6-chloro-N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114711302
N-ethyl-7-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114710968
2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712260
(2S,4S)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 92935771
(4R)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 104946079
N-ethyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114712242
2-(2,3-dichlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712236
2-(2,3-dimethylphenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712172
N-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114712233
2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712293
2-(4-bromothiophen-2-yl)-N-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114710676
N-ethyl-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114712211

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine (CID 114712166) is N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(c2cccs2)Oc2ccccc21.
What is the InChIKey of N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is QIMPQXKGXOJSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-2-16-12-10-14(15-8-5-9-18-15)17-13-7-4-3-6-11(12)13/h3-9,12,14,16H,2,10H2,1H3.
What are the key properties of N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine?
N-ethyl-2-thiophen-2-yl-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-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).