N-ethyl-2-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C18H23NS — CID 63773845

IUPACN-ethyl-2-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2CCC1CCc1cccs1
InChIInChI=1S/C18H23NS/c1-2-19-18-15(11-12-16-7-5-13-20-16)10-9-14-6-3-4-8-17(14)18/h3-8,13,15,18-19H,2,9-12H2,1H3
InChIKeyITJYRXLWEUTABB-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.59
Rot. Bonds5

About N-ethyl-2-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-ethyl-2-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 63773845) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-ethyl-2-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID63773845
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC NameN-ethyl-2-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2CCC1CCc1cccs1
InChIInChI=1S/C18H23NS/c1-2-19-18-15(11-12-16-7-5-13-20-16)10-9-14-6-3-4-8-17(14)18/h3-8,13,15,18-19H,2,9-12H2,1H3
InChIKeyITJYRXLWEUTABB-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103004433
1-(2,3-dihydro-1H-inden-1-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 65405145
N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64626278
N-ethyl-2-thiophen-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64645604
6-butyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403512
N-ethyl-2-methylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64656023
N-ethyl-2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63403548
N-ethyl-6-(3-methoxy-3-methylbutyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 103034577
N-propyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 55237095
N-ethyl-2-ethylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64646782
N-ethyl-6-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62385719
N-methyl-2-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 63776082

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-ethyl-2-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 63773845) is N-ethyl-2-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-ethyl-2-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-ethyl-2-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CCNC1c2ccccc2CCC1CCc1cccs1.
What is the InChIKey of N-ethyl-2-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ITJYRXLWEUTABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-2-19-18-15(11-12-16-7-5-13-20-16)10-9-14-6-3-4-8-17(14)18/h3-8,13,15,18-19H,2,9-12H2,1H3.
What are the key properties of N-ethyl-2-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-ethyl-2-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 285.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 63773845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).