N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropan-1-amine

C18H23NS — CID 65404001

IUPACN-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCNC(CCc1cccs1)C1CCc2ccccc2C1
InChIInChI=1S/C18H23NS/c1-19-18(11-10-17-7-4-12-20-17)16-9-8-14-5-2-3-6-15(14)13-16/h2-7,12,16,18-19H,8-11,13H2,1H3
InChIKeyTYMRVRYCAJBAIZ-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.07
Rot. Bonds5

About N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropan-1-amine

N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 65404001) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropan-1-amine
PubChem CID65404001
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC NameN-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCNC(CCc1cccs1)C1CCc2ccccc2C1
InChIInChI=1S/C18H23NS/c1-19-18(11-10-17-7-4-12-20-17)16-9-8-14-5-2-3-6-15(14)13-16/h2-7,12,16,18-19H,8-11,13H2,1H3
InChIKeyTYMRVRYCAJBAIZ-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 55236906
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115860737
N,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 83161896
1-(3,3-difluorocyclopentyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 114216221
N-methyl-1-(2-methylcyclopentyl)-3-thiophen-2-ylpropan-1-amine
CID 107188935
1-(2,3-dihydro-1H-inden-1-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 65405145
N-methyl-3-(1-methylimidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-amine
CID 114530350
2-(2-chlorophenyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65405558
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642
(1-cyclohexyl-3-thiophen-2-ylpropyl)hydrazine
CID 105201759
1-(3,4-dimethylcyclohexyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105154540
1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 103168696

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropan-1-amine (CID 65404001) is N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropan-1-amine is CNC(CCc1cccs1)C1CCc2ccccc2C1.
What is the InChIKey of N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is TYMRVRYCAJBAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-19-18(11-10-17-7-4-12-20-17)16-9-8-14-5-2-3-6-15(14)13-16/h2-7,12,16,18-19H,8-11,13H2,1H3.
What are the key properties of N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropan-1-amine?
N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 65404001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).