N-[2-(2,3-dihydrothiophen-2-yl)ethyl]-5-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

C17H23NS — CID 70272617

IUPACN-[2-(2,3-dihydrothiophen-2-yl)ethyl]-5-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1cccc2c1CCC(NCCC1CC=CS1)C2
InChIInChI=1S/C17H23NS/c1-13-4-2-5-14-12-15(7-8-17(13)14)18-10-9-16-6-3-11-19-16/h2-5,11,15-16,18H,6-10,12H2,1H3
InChIKeyHTWUYFXENJTOJQ-UHFFFAOYSA-N
MW273.44 g/mol
LogP3.85
Rot. Bonds4

About N-[2-(2,3-dihydrothiophen-2-yl)ethyl]-5-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

N-[2-(2,3-dihydrothiophen-2-yl)ethyl]-5-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 70272617) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is N-[2-(2,3-dihydrothiophen-2-yl)ethyl]-5-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydrothiophen-2-yl)ethyl]-5-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID70272617
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC NameN-[2-(2,3-dihydrothiophen-2-yl)ethyl]-5-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1cccc2c1CCC(NCCC1CC=CS1)C2
InChIInChI=1S/C17H23NS/c1-13-4-2-5-14-12-15(7-8-17(13)14)18-10-9-16-6-3-11-19-16/h2-5,11,15-16,18H,6-10,12H2,1H3
InChIKeyHTWUYFXENJTOJQ-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydrothiophen-2-yl)ethyl]-5-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[2-(2,3-dihydrothiophen-2-yl)ethyl]-5-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 70272617) is N-[2-(2,3-dihydrothiophen-2-yl)ethyl]-5-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[2-(2,3-dihydrothiophen-2-yl)ethyl]-5-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[2-(2,3-dihydrothiophen-2-yl)ethyl]-5-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is Cc1cccc2c1CCC(NCCC1CC=CS1)C2.
What is the InChIKey of N-[2-(2,3-dihydrothiophen-2-yl)ethyl]-5-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is HTWUYFXENJTOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-13-4-2-5-14-12-15(7-8-17(13)14)18-10-9-16-6-3-11-19-16/h2-5,11,15-16,18H,6-10,12H2,1H3.
What are the key properties of N-[2-(2,3-dihydrothiophen-2-yl)ethyl]-5-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
N-[2-(2,3-dihydrothiophen-2-yl)ethyl]-5-methyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 273.44 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydrothiophen-2-yl)ethyl]-5-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 70272617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).