2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C17H28N2S — CID 115420605

IUPAC2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCN(CC)CCSC1CC(C)c2ccccc2C1N
InChIInChI=1S/C17H28N2S/c1-4-19(5-2)10-11-20-16-12-13(3)14-8-6-7-9-15(14)17(16)18/h6-9,13,16-17H,4-5,10-12,18H2,1-3H3
InChIKeyUJUKZLCSHDEADZ-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.64
Rot. Bonds6

About 2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115420605) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115420605
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCN(CC)CCSC1CC(C)c2ccccc2C1N
InChIInChI=1S/C17H28N2S/c1-4-19(5-2)10-11-20-16-12-13(3)14-8-6-7-9-15(14)17(16)18/h6-9,13,16-17H,4-5,10-12,18H2,1-3H3
InChIKeyUJUKZLCSHDEADZ-UHFFFAOYSA-N
XLogP3.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[(2-methylphenyl)methylsulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420555
4-methyl-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420529
4-methyl-2-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420497
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
2-ethylsulfonyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113306113
(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-amine
CID 28502914
4-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113306168
(1-amino-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 115420649
2-[[4-methyl-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]ethanol
CID 113306152
2-N-(2-methoxyethyl)-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 115418942
4-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420539
N,4-dimethyl-2-(3-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107764182

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115420605) is 2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCN(CC)CCSC1CC(C)c2ccccc2C1N.
What is the InChIKey of 2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is UJUKZLCSHDEADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-4-19(5-2)10-11-20-16-12-13(3)14-8-6-7-9-15(14)17(16)18/h6-9,13,16-17H,4-5,10-12,18H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 292.49 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115420605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).