5-(3-aminopropyl)-2-methyl-4-methylsulfanylphenol

C11H17NOS — CID 117302130

IUPAC5-(3-aminopropyl)-2-methyl-4-methylsulfanylphenol
SMILESCSc1cc(C)c(O)cc1CCCN
InChIInChI=1S/C11H17NOS/c1-8-6-11(14-2)9(4-3-5-12)7-10(8)13/h6-7,13H,3-5,12H2,1-2H3
InChIKeyHOXKFCUKJGENFU-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.31
Rot. Bonds4

About 5-(3-aminopropyl)-2-methyl-4-methylsulfanylphenol

5-(3-aminopropyl)-2-methyl-4-methylsulfanylphenol (PubChem CID 117302130) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-(3-aminopropyl)-2-methyl-4-methylsulfanylphenol.

Molecular Properties

Compound Name5-(3-aminopropyl)-2-methyl-4-methylsulfanylphenol
PubChem CID117302130
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name5-(3-aminopropyl)-2-methyl-4-methylsulfanylphenol
SMILESCSc1cc(C)c(O)cc1CCCN
InChIInChI=1S/C11H17NOS/c1-8-6-11(14-2)9(4-3-5-12)7-10(8)13/h6-7,13H,3-5,12H2,1-2H3
InChIKeyHOXKFCUKJGENFU-UHFFFAOYSA-N
XLogP2.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(hydroxymethyl)-2-methyl-4-methylsulfanylphenol
CID 117279916
3-(5-chloro-2-methylsulfanylphenyl)propan-1-amine
CID 82264895
5-(3-aminopropyl)-2-chloro-4-methylphenol
CID 84775584
5-butyl-4-fluoro-2-methylphenol
CID 118092181
5-(4-aminobutyl)-2-methyl-4-methylsulfonylphenol
CID 117397109
3-(4-methyl-3-methylsulfanylphenyl)propan-1-amine
CID 117285805
4-(3-aminopropyl)-3-fluoro-6-methylbenzene-1,2-diol
CID 117288575
4-(5-chloro-2-methylsulfanylphenyl)butan-1-amine
CID 117331778
4-(5-bromo-2-methylsulfanylphenyl)butan-1-amine
CID 117437843
5-(4-aminobutyl)-2-methylsulfanylphenol
CID 117302194
5-(2-aminopropan-2-yl)-2-methyl-4-methylsulfanylphenol
CID 117302161
2-(3-aminopropyl)-4-chloro-5-propan-2-ylphenol
CID 117328035

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-2-methyl-4-methylsulfanylphenol?
The IUPAC name of 5-(3-aminopropyl)-2-methyl-4-methylsulfanylphenol (CID 117302130) is 5-(3-aminopropyl)-2-methyl-4-methylsulfanylphenol.
What is the SMILES notation for 5-(3-aminopropyl)-2-methyl-4-methylsulfanylphenol?
The canonical SMILES for 5-(3-aminopropyl)-2-methyl-4-methylsulfanylphenol is CSc1cc(C)c(O)cc1CCCN.
What is the InChIKey of 5-(3-aminopropyl)-2-methyl-4-methylsulfanylphenol?
The InChIKey is HOXKFCUKJGENFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8-6-11(14-2)9(4-3-5-12)7-10(8)13/h6-7,13H,3-5,12H2,1-2H3.
What are the key properties of 5-(3-aminopropyl)-2-methyl-4-methylsulfanylphenol?
5-(3-aminopropyl)-2-methyl-4-methylsulfanylphenol has a molecular weight of 211.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-2-methyl-4-methylsulfanylphenol is sourced from PubChem (CID 117302130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).