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

C15H16ClNOS — CID 114711302

IUPAC6-chloro-N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2cccs2)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H16ClNOS/c1-2-17-12-9-14(15-4-3-7-19-15)18-13-6-5-10(16)8-11(12)13/h3-8,12,14,17H,2,9H2,1H3
InChIKeyDSBZJUYMSCXZRD-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.58
Rot. Bonds3

About 6-chloro-N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine

6-chloro-N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114711302) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 6-chloro-N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114711302
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name6-chloro-N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2cccs2)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H16ClNOS/c1-2-17-12-9-14(15-4-3-7-19-15)18-13-6-5-10(16)8-11(12)13/h3-8,12,14,17H,2,9H2,1H3
InChIKeyDSBZJUYMSCXZRD-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114710968
6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713398
2-(4-bromothiophen-2-yl)-N-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114710676
6-chloro-N-ethyl-2-(2-ethylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 114711322
6-bromo-N-ethyl-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114713337
6-chloro-N-ethyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114711294
6-chloro-N-ethyl-2-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 106676748
N-ethyl-2-(2-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712724
2-(2,3-dichlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712236
7-bromo-2-(3-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114711830
2-(3-bromothiophen-2-yl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711217

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-chloro-N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine (CID 114711302) is 6-chloro-N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(c2cccs2)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DSBZJUYMSCXZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-2-17-12-9-14(15-4-3-7-19-15)18-13-6-5-10(16)8-11(12)13/h3-8,12,14,17H,2,9H2,1H3.
What are the key properties of 6-chloro-N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine?
6-chloro-N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 293.82 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114711302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).