2-methyl-3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol

C18H29NOS — CID 115420608

IUPAC2-methyl-3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol
SMILESCCCNC1c2ccccc2C(C)CC1SCC(C)CO
InChIInChI=1S/C18H29NOS/c1-4-9-19-18-16-8-6-5-7-15(16)14(3)10-17(18)21-12-13(2)11-20/h5-8,13-14,17-20H,4,9-12H2,1-3H3
InChIKeyWOAACZQQSZNZCE-UHFFFAOYSA-N
MW307.50 g/mol
LogP3.96
Rot. Bonds7

About 2-methyl-3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol

2-methyl-3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol (PubChem CID 115420608) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is 2-methyl-3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol
PubChem CID115420608
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC Name2-methyl-3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol
SMILESCCCNC1c2ccccc2C(C)CC1SCC(C)CO
InChIInChI=1S/C18H29NOS/c1-4-9-19-18-16-8-6-5-7-15(16)14(3)10-17(18)21-12-13(2)11-20/h5-8,13-14,17-20H,4,9-12H2,1-3H3
InChIKeyWOAACZQQSZNZCE-UHFFFAOYSA-N
XLogP3.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol with MolForge

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Related Compounds

3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol
CID 115420616
2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol
CID 66102789
2-butan-2-ylsulfanyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420476
4-methyl-2-methylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420570
2-(1-methoxypropan-2-yloxy)-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419271
2-[[4-methyl-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]ethanol
CID 113306152
2-methyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol
CID 66102793
N,4-dimethyl-2-(3-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107764182
N-ethyl-4-methyl-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420483
3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol
CID 66103015
3-[[1-(propylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol
CID 66128150
4-methyl-2-(2-methylpyrrolidin-1-yl)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418920

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol?
The IUPAC name of 2-methyl-3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol (CID 115420608) is 2-methyl-3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol is CCCNC1c2ccccc2C(C)CC1SCC(C)CO.
What is the InChIKey of 2-methyl-3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol?
The InChIKey is WOAACZQQSZNZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-4-9-19-18-16-8-6-5-7-15(16)14(3)10-17(18)21-12-13(2)11-20/h5-8,13-14,17-20H,4,9-12H2,1-3H3.
What are the key properties of 2-methyl-3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol?
2-methyl-3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol has a molecular weight of 307.50 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol is sourced from PubChem (CID 115420608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).