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

C16H19NS — CID 43204364

IUPACN-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(NC1CCCc2ccccc21)c1cccs1
InChIInChI=1S/C16H19NS/c1-12(16-10-5-11-18-16)17-15-9-4-7-13-6-2-3-8-14(13)15/h2-3,5-6,8,10-12,15,17H,4,7,9H2,1H3
InChIKeyJGSIZYPXTKUKKP-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.48
Rot. Bonds3

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

N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 43204364) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID43204364
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC NameN-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(NC1CCCc2ccccc21)c1cccs1
InChIInChI=1S/C16H19NS/c1-12(16-10-5-11-18-16)17-15-9-4-7-13-6-2-3-8-14(13)15/h2-3,5-6,8,10-12,15,17H,4,7,9H2,1H3
InChIKeyJGSIZYPXTKUKKP-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43110218
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
N-[(1S)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81374280
N-[(1R)-1-cycloheptylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81390131
N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 54897773
N-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63449232
N-[(1R)-1-pyridin-3-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81406890
N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43111218
N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43131355
N-(1-cyclopropylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63988882
6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81398619

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 43204364) is N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CC(NC1CCCc2ccccc21)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is JGSIZYPXTKUKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-12(16-10-5-11-18-16)17-15-9-4-7-13-6-2-3-8-14(13)15/h2-3,5-6,8,10-12,15,17H,4,7,9H2,1H3.
What are the key properties of N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 257.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43204364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).