3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol

C15H23NOS — CID 103785190

IUPAC3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NC1CCc2ccc(C)cc21
InChIInChI=1S/C15H23NOS/c1-10-4-5-12-6-7-14(13(12)8-10)16-11(2)15(9-17)18-3/h4-5,8,11,14-17H,6-7,9H2,1-3H3
InChIKeyWQYDFKAYTAYVPM-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.68
Rot. Bonds5

About 3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol

3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol (PubChem CID 103785190) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol
PubChem CID103785190
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NC1CCc2ccc(C)cc21
InChIInChI=1S/C15H23NOS/c1-10-4-5-12-6-7-14(13(12)8-10)16-11(2)15(9-17)18-3/h4-5,8,11,14-17H,6-7,9H2,1-3H3
InChIKeyWQYDFKAYTAYVPM-UHFFFAOYSA-N
XLogP2.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 113262002
8-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106158830
6-methyl-N-(3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 81300726
2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
CID 81339043
4-methoxy-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 114210431
6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 115716161
3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103785152
N-(1-cyclobutylethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 113348472
6-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 79040850
3-methyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butanamide
CID 114176206
1-N,1-N,3-trimethyl-2-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)butane-1,2-diamine
CID 81327422
N-cyclopropyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 112696340

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol (CID 103785190) is 3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)NC1CCc2ccc(C)cc21.
What is the InChIKey of 3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is WQYDFKAYTAYVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-10-4-5-12-6-7-14(13(12)8-10)16-11(2)15(9-17)18-3/h4-5,8,11,14-17H,6-7,9H2,1-3H3.
What are the key properties of 3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol?
3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 265.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 103785190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).