2-(3-butylsulfanylpropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol;hydrochloride

C19H32ClNOS — CID 3048817

IUPAC2-(3-butylsulfanylpropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol;hydrochloride
SMILESCCCCSCCCNC(C)C(O)c1ccc2c(c1)CCC2.Cl
InChIInChI=1S/C19H31NOS.ClH/c1-3-4-12-22-13-6-11-20-15(2)19(21)18-10-9-16-7-5-8-17(16)14-18;/h9-10,14-15,19-21H,3-8,11-13H2,1-2H3;1H
InChIKeyCYWGBWYMBJQSDJ-UHFFFAOYSA-N
MW357.99 g/mol
LogP4.53
Rot. Bonds10

About 2-(3-butylsulfanylpropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol;hydrochloride

2-(3-butylsulfanylpropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol;hydrochloride (PubChem CID 3048817) has the molecular formula C19H32ClNOS and a molecular weight of 357.99 g/mol. Its IUPAC name is 2-(3-butylsulfanylpropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-(3-butylsulfanylpropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol;hydrochloride
PubChem CID3048817
Molecular FormulaC19H32ClNOS
Molecular Weight357.99 g/mol
Exact Mass357.19
IUPAC Name2-(3-butylsulfanylpropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol;hydrochloride
SMILESCCCCSCCCNC(C)C(O)c1ccc2c(c1)CCC2.Cl
InChIInChI=1S/C19H31NOS.ClH/c1-3-4-12-22-13-6-11-20-15(2)19(21)18-10-9-16-7-5-8-17(16)14-18;/h9-10,14-15,19-21H,3-8,11-13H2,1-2H3;1H
InChIKeyCYWGBWYMBJQSDJ-UHFFFAOYSA-N
XLogP4.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.99
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
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CID 7047598
2-(cyclopropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 82289334
1-(3,4-dihydro-2H-thiochromen-6-yl)-2-(octylamino)propan-1-ol;1-(3,4-dihydro-2H-thiochromen-6-yl)-2-(4-phenylbutylamino)propan-1-ol
CID 158106659
1-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496762
2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol
CID 82285998
(3R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)octan-3-ol
CID 100938852
N'-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]butane-1,4-diamine
CID 60893434
(1R,2S)-2-(butylamino)-1-(3-chlorophenyl)propan-1-ol
CID 70902725
1-(4-fluoro-3-methylphenyl)-2-(hexylamino)propan-1-ol
CID 82315039
2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
CID 82312888
2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol;hydrochloride
CID 3029491

Frequently Asked Questions

What is the IUPAC name of 2-(3-butylsulfanylpropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol;hydrochloride?
The IUPAC name of 2-(3-butylsulfanylpropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol;hydrochloride (CID 3048817) is 2-(3-butylsulfanylpropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-(3-butylsulfanylpropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-(3-butylsulfanylpropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol;hydrochloride is CCCCSCCCNC(C)C(O)c1ccc2c(c1)CCC2.Cl.
What is the InChIKey of 2-(3-butylsulfanylpropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol;hydrochloride?
The InChIKey is CYWGBWYMBJQSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NOS.ClH/c1-3-4-12-22-13-6-11-20-15(2)19(21)18-10-9-16-7-5-8-17(16)14-18;/h9-10,14-15,19-21H,3-8,11-13H2,1-2H3;1H.
What are the key properties of 2-(3-butylsulfanylpropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol;hydrochloride?
2-(3-butylsulfanylpropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol;hydrochloride has a molecular weight of 357.99 g/mol, XLogP of 4.53, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butylsulfanylpropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 3048817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).