1-(2-methylthiolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

C17H25NS — CID 105106968

IUPAC1-(2-methylthiolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESCC1(C(N)CC2CCCc3ccccc32)CCCS1
InChIInChI=1S/C17H25NS/c1-17(10-5-11-19-17)16(18)12-14-8-4-7-13-6-2-3-9-15(13)14/h2-3,6,9,14,16H,4-5,7-8,10-12,18H2,1H3
InChIKeyGJXOCGWTAHMCOC-UHFFFAOYSA-N
MW275.46 g/mol
LogP4.11
Rot. Bonds3

About 1-(2-methylthiolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

1-(2-methylthiolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (PubChem CID 105106968) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is 1-(2-methylthiolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2-methylthiolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
PubChem CID105106968
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC Name1-(2-methylthiolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESCC1(C(N)CC2CCCc3ccccc32)CCCS1
InChIInChI=1S/C17H25NS/c1-17(10-5-11-19-17)16(18)12-14-8-4-7-13-6-2-3-9-15(13)14/h2-3,6,9,14,16H,4-5,7-8,10-12,18H2,1H3
InChIKeyGJXOCGWTAHMCOC-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopentan-1-amine
CID 63772469
1-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 63772832
1-(2-methylcyclopropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65420172
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptan-1-amine
CID 55243443
1-(4-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 115813113
[1-(2,2-dimethylcyclopentyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 107193445
1-(3-chloro-4-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 103405354
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-cyclopropyl-1-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 116722025
1-(5-bromothiophen-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 105107044
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The IUPAC name of 1-(2-methylthiolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (CID 105106968) is 1-(2-methylthiolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.
What is the SMILES notation for 1-(2-methylthiolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The canonical SMILES for 1-(2-methylthiolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is CC1(C(N)CC2CCCc3ccccc32)CCCS1.
What is the InChIKey of 1-(2-methylthiolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The InChIKey is GJXOCGWTAHMCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-17(10-5-11-19-17)16(18)12-14-8-4-7-13-6-2-3-9-15(13)14/h2-3,6,9,14,16H,4-5,7-8,10-12,18H2,1H3.
What are the key properties of 1-(2-methylthiolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
1-(2-methylthiolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine has a molecular weight of 275.46 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 105106968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).