6-[(5-chlorothiophen-2-yl)methoxy]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine

C17H20ClNOS — CID 63499948

IUPAC6-[(5-chlorothiophen-2-yl)methoxy]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1CCCc2cc(OCc3ccc(Cl)s3)ccc21
InChIInChI=1S/C17H20ClNOS/c1-2-19-16-5-3-4-12-10-13(6-8-15(12)16)20-11-14-7-9-17(18)21-14/h6-10,16,19H,2-5,11H2,1H3
InChIKeyUCULKCDCJWSSSP-UHFFFAOYSA-N
MW321.87 g/mol
LogP4.97
Rot. Bonds5

About 6-[(5-chlorothiophen-2-yl)methoxy]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine

6-[(5-chlorothiophen-2-yl)methoxy]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 63499948) has the molecular formula C17H20ClNOS and a molecular weight of 321.87 g/mol. Its IUPAC name is 6-[(5-chlorothiophen-2-yl)methoxy]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-[(5-chlorothiophen-2-yl)methoxy]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID63499948
Molecular FormulaC17H20ClNOS
Molecular Weight321.87 g/mol
Exact Mass321.10
IUPAC Name6-[(5-chlorothiophen-2-yl)methoxy]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1CCCc2cc(OCc3ccc(Cl)s3)ccc21
InChIInChI=1S/C17H20ClNOS/c1-2-19-16-5-3-4-12-10-13(6-8-15(12)16)20-11-14-7-9-17(18)21-14/h6-10,16,19H,2-5,11H2,1H3
InChIKeyUCULKCDCJWSSSP-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chlorothiophen-2-yl)methoxy]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-[(5-chlorothiophen-2-yl)methoxy]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 63499948) is 6-[(5-chlorothiophen-2-yl)methoxy]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-[(5-chlorothiophen-2-yl)methoxy]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-[(5-chlorothiophen-2-yl)methoxy]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCNC1CCCc2cc(OCc3ccc(Cl)s3)ccc21.
What is the InChIKey of 6-[(5-chlorothiophen-2-yl)methoxy]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is UCULKCDCJWSSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNOS/c1-2-19-16-5-3-4-12-10-13(6-8-15(12)16)20-11-14-7-9-17(18)21-14/h6-10,16,19H,2-5,11H2,1H3.
What are the key properties of 6-[(5-chlorothiophen-2-yl)methoxy]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
6-[(5-chlorothiophen-2-yl)methoxy]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 321.87 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chlorothiophen-2-yl)methoxy]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 63499948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).