N-ethyl-7-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine

C16H19NO2S — CID 114710968

IUPACN-ethyl-7-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2cccs2)Oc2cc(OC)ccc21
InChIInChI=1S/C16H19NO2S/c1-3-17-13-10-15(16-5-4-8-20-16)19-14-9-11(18-2)6-7-12(13)14/h4-9,13,15,17H,3,10H2,1-2H3
InChIKeyUJNUCVDDBJPISZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.93
Rot. Bonds4

About N-ethyl-7-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine

N-ethyl-7-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114710968) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-ethyl-7-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-ethyl-7-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114710968
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-ethyl-7-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2cccs2)Oc2cc(OC)ccc21
InChIInChI=1S/C16H19NO2S/c1-3-17-13-10-15(16-5-4-8-20-16)19-14-9-11(18-2)6-7-12(13)14/h4-9,13,15,17H,3,10H2,1-2H3
InChIKeyUJNUCVDDBJPISZ-UHFFFAOYSA-N
XLogP3.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114712166
N-ethyl-7-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114711040
6-chloro-N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114711302
N-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711038
6-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114709810
N-ethyl-6-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114713010
2-cyclohexyl-N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114711017
N-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114712233
7-bromo-2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114711788
N-ethyl-7-methoxy-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114710986
3-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine;hydrochloride
CID 67857063
7-methoxy-N-methyl-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114710872

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-ethyl-7-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine (CID 114710968) is N-ethyl-7-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-ethyl-7-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-ethyl-7-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(c2cccs2)Oc2cc(OC)ccc21.
What is the InChIKey of N-ethyl-7-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is UJNUCVDDBJPISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-3-17-13-10-15(16-5-4-8-20-16)19-14-9-11(18-2)6-7-12(13)14/h4-9,13,15,17H,3,10H2,1-2H3.
What are the key properties of N-ethyl-7-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine?
N-ethyl-7-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 289.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114710968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).