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

C18H23NS — CID 63454457

IUPACN-(1-thiophen-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCC(NC1CCc2ccccc2C1)c1cccs1
InChIInChI=1S/C18H23NS/c1-2-6-17(18-9-5-12-20-18)19-16-11-10-14-7-3-4-8-15(14)13-16/h3-5,7-9,12,16-17,19H,2,6,10-11,13H2,1H3
InChIKeyLTGSXZCGBSSBGL-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.74
Rot. Bonds5

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

N-(1-thiophen-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63454457) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-(1-thiophen-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63454457
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC NameN-(1-thiophen-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCC(NC1CCc2ccccc2C1)c1cccs1
InChIInChI=1S/C18H23NS/c1-2-6-17(18-9-5-12-20-18)19-16-11-10-14-7-3-4-8-15(14)13-16/h3-5,7-9,12,16-17,19H,2,6,10-11,13H2,1H3
InChIKeyLTGSXZCGBSSBGL-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55153023
3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-thiophen-2-ylpropanoic acid
CID 43787522
4-methoxy-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 113414380
N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754879
3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 55194083
3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine
CID 112553091
4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine
CID 65091558
N-[1-(2-fluorophenyl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115994378
N-(1-thiophen-2-ylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853218
2-chloro-N-(1-thiophen-2-ylbutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252071
2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine
CID 79957676
(2S)-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butan-1-ol
CID 93026650

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(1-thiophen-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63454457) is N-(1-thiophen-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(1-thiophen-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(1-thiophen-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine is CCCC(NC1CCc2ccccc2C1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is LTGSXZCGBSSBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-2-6-17(18-9-5-12-20-18)19-16-11-10-14-7-3-4-8-15(14)13-16/h3-5,7-9,12,16-17,19H,2,6,10-11,13H2,1H3.
What are the key properties of N-(1-thiophen-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(1-thiophen-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 285.46 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63454457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).