2-(propan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride

C15H26ClNOS — CID 3042918

IUPAC2-(propan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride
SMILESCC(C)NC(C)C(O)c1ccc(SC(C)C)cc1.Cl
InChIInChI=1S/C15H25NOS.ClH/c1-10(2)16-12(5)15(17)13-6-8-14(9-7-13)18-11(3)4;/h6-12,15-17H,1-5H3;1H
InChIKeyTWJAJVAMPOIPNI-UHFFFAOYSA-N
MW303.90 g/mol
LogP4.03
Rot. Bonds6

About 2-(propan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride

2-(propan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride (PubChem CID 3042918) has the molecular formula C15H26ClNOS and a molecular weight of 303.90 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-(propan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride
PubChem CID3042918
Molecular FormulaC15H26ClNOS
Molecular Weight303.90 g/mol
Exact Mass303.14
IUPAC Name2-(propan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride
SMILESCC(C)NC(C)C(O)c1ccc(SC(C)C)cc1.Cl
InChIInChI=1S/C15H25NOS.ClH/c1-10(2)16-12(5)15(17)13-6-8-14(9-7-13)18-11(3)4;/h6-12,15-17H,1-5H3;1H
InChIKeyTWJAJVAMPOIPNI-UHFFFAOYSA-N
XLogP4.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.90
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 112514141
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(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 70464274
(1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol
CID 78951591
2-[[(1R,3S)-3-phenylcyclohexyl]amino]-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride
CID 70455581
N-[4-[1-hydroxy-2-(propan-2-ylamino)propyl]phenyl]propanamide
CID 82315401
5-[1-hydroxy-2-(propan-2-ylamino)propyl]benzene-1,3-diol
CID 154333951
1-(4-propan-2-ylsulfanylphenyl)ethylhydrazine
CID 82470792
(1R,2R)-2-(propan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
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2-(4-propan-2-ylsulfanylphenyl)butanoic acid
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2-(4-propan-2-ylsulfanylphenyl)propanoate
CID 78422660
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CID 120989080

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride?
The IUPAC name of 2-(propan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride (CID 3042918) is 2-(propan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-(propan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-(propan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride is CC(C)NC(C)C(O)c1ccc(SC(C)C)cc1.Cl.
What is the InChIKey of 2-(propan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride?
The InChIKey is TWJAJVAMPOIPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS.ClH/c1-10(2)16-12(5)15(17)13-6-8-14(9-7-13)18-11(3)4;/h6-12,15-17H,1-5H3;1H.
What are the key properties of 2-(propan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride?
2-(propan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride has a molecular weight of 303.90 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 3042918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).