N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-4-thiophen-2-ylbutan-1-amine

C20H27NOS — CID 67867247

IUPACN-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-4-thiophen-2-ylbutan-1-amine
SMILESCNCC(CCc1cccs1)COc1ccc2c(c1)CCCC2
InChIInChI=1S/C20H27NOS/c1-21-14-16(8-11-20-7-4-12-23-20)15-22-19-10-9-17-5-2-3-6-18(17)13-19/h4,7,9-10,12-13,16,21H,2-3,5-6,8,11,14-15H2,1H3
InChIKeyQKRKVCOLNIHAFZ-UHFFFAOYSA-N
MW329.51 g/mol
LogP4.47
Rot. Bonds8

About N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-4-thiophen-2-ylbutan-1-amine

N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-4-thiophen-2-ylbutan-1-amine (PubChem CID 67867247) has the molecular formula C20H27NOS and a molecular weight of 329.51 g/mol. Its IUPAC name is N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-4-thiophen-2-ylbutan-1-amine
PubChem CID67867247
Molecular FormulaC20H27NOS
Molecular Weight329.51 g/mol
Exact Mass329.18
IUPAC NameN-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-4-thiophen-2-ylbutan-1-amine
SMILESCNCC(CCc1cccs1)COc1ccc2c(c1)CCCC2
InChIInChI=1S/C20H27NOS/c1-21-14-16(8-11-20-7-4-12-23-20)15-22-19-10-9-17-5-2-3-6-18(17)13-19/h4,7,9-10,12-13,16,21H,2-3,5-6,8,11,14-15H2,1H3
InChIKeyQKRKVCOLNIHAFZ-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-4-thiophen-2-ylbutan-1-amine (CID 67867247) is N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-4-thiophen-2-ylbutan-1-amine is CNCC(CCc1cccs1)COc1ccc2c(c1)CCCC2.
What is the InChIKey of N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-4-thiophen-2-ylbutan-1-amine?
The InChIKey is QKRKVCOLNIHAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NOS/c1-21-14-16(8-11-20-7-4-12-23-20)15-22-19-10-9-17-5-2-3-6-18(17)13-19/h4,7,9-10,12-13,16,21H,2-3,5-6,8,11,14-15H2,1H3.
What are the key properties of N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-4-thiophen-2-ylbutan-1-amine?
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-4-thiophen-2-ylbutan-1-amine has a molecular weight of 329.51 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 67867247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).