N,N-dimethyl-5-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine

C16H19NS — CID 25070237

IUPACN,N-dimethyl-5-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)C1CCc2c(cccc2-c2ccsc2)C1
InChIInChI=1S/C16H19NS/c1-17(2)14-6-7-16-12(10-14)4-3-5-15(16)13-8-9-18-11-13/h3-5,8-9,11,14H,6-7,10H2,1-2H3
InChIKeyRIXAESLGTOVEMT-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.83
Rot. Bonds2

About N,N-dimethyl-5-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine

N,N-dimethyl-5-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 25070237) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is N,N-dimethyl-5-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID25070237
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC NameN,N-dimethyl-5-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)C1CCc2c(cccc2-c2ccsc2)C1
InChIInChI=1S/C16H19NS/c1-17(2)14-6-7-16-12(10-14)4-3-5-15(16)13-8-9-18-11-13/h3-5,8-9,11,14H,6-7,10H2,1-2H3
InChIKeyRIXAESLGTOVEMT-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N,N-dimethyl-5-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 25070237) is N,N-dimethyl-5-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N,N-dimethyl-5-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N,N-dimethyl-5-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine is CN(C)C1CCc2c(cccc2-c2ccsc2)C1.
What is the InChIKey of N,N-dimethyl-5-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is RIXAESLGTOVEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-17(2)14-6-7-16-12(10-14)4-3-5-15(16)13-8-9-18-11-13/h3-5,8-9,11,14H,6-7,10H2,1-2H3.
What are the key properties of N,N-dimethyl-5-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
N,N-dimethyl-5-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 257.40 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 25070237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).