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

C17H21NS — CID 55153023

IUPACN-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCC(NC1CCc2ccccc2C1)c1cccs1
InChIInChI=1S/C17H21NS/c1-2-16(17-8-5-11-19-17)18-15-10-9-13-6-3-4-7-14(13)12-15/h3-8,11,15-16,18H,2,9-10,12H2,1H3
InChIKeyKAIKHPLSCQUVBV-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.35
Rot. Bonds4

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

N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 55153023) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID55153023
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCC(NC1CCc2ccccc2C1)c1cccs1
InChIInChI=1S/C17H21NS/c1-2-16(17-8-5-11-19-17)18-15-10-9-13-6-3-4-7-14(13)12-15/h3-8,11,15-16,18H,2,9-10,12H2,1H3
InChIKeyKAIKHPLSCQUVBV-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-thiophen-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63454457
3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-thiophen-2-ylpropanoic acid
CID 43787522
N-[1-(2-fluorophenyl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115994378
N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43110218
N-[1-(3-fluorophenyl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 114871531
3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 64744444
(2S)-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butan-1-ol
CID 93026650
1-methyl-N-(1-thiophen-2-ylpropyl)pyrrolidin-3-amine
CID 61462269
N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
CID 114817555
(2S)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)butan-1-ol;hydrochloride
CID 91662998
tert-butyl N-[3-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate
CID 103719850
1-cyclopropyl-5-methyl-N-(1-thiophen-2-ylpropyl)pyrrolidin-3-amine
CID 115713136

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 55153023) is N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine is CCC(NC1CCc2ccccc2C1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is KAIKHPLSCQUVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-2-16(17-8-5-11-19-17)18-15-10-9-13-6-3-4-7-14(13)12-15/h3-8,11,15-16,18H,2,9-10,12H2,1H3.
What are the key properties of N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 271.43 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 55153023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).