2-[1-(4-methylphenyl)sulfanylpropan-2-ylamino]ethanol

C12H19NOS — CID 119091882

IUPAC2-[1-(4-methylphenyl)sulfanylpropan-2-ylamino]ethanol
SMILESCc1ccc(SCC(C)NCCO)cc1
InChIInChI=1S/C12H19NOS/c1-10-3-5-12(6-4-10)15-9-11(2)13-7-8-14/h3-6,11,13-14H,7-9H2,1-2H3
InChIKeyDJPPAVXOCJKSLC-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.06
Rot. Bonds6

About 2-[1-(4-methylphenyl)sulfanylpropan-2-ylamino]ethanol

2-[1-(4-methylphenyl)sulfanylpropan-2-ylamino]ethanol (PubChem CID 119091882) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)sulfanylpropan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)sulfanylpropan-2-ylamino]ethanol
PubChem CID119091882
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-[1-(4-methylphenyl)sulfanylpropan-2-ylamino]ethanol
SMILESCc1ccc(SCC(C)NCCO)cc1
InChIInChI=1S/C12H19NOS/c1-10-3-5-12(6-4-10)15-9-11(2)13-7-8-14/h3-6,11,13-14H,7-9H2,1-2H3
InChIKeyDJPPAVXOCJKSLC-UHFFFAOYSA-N
XLogP2.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol
CID 61166956
(2S)-3-methyl-1-(4-methylphenyl)sulfanylbutan-2-ol
CID 11401570
2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol
CID 29083030
1-naphthalen-2-ylsulfanyl-N-propylpropan-2-amine
CID 64648859
2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]ethanol
CID 75482273
3-methyl-1-(4-methylphenyl)sulfanyl-N-propylhexan-2-amine
CID 107896580
(3R)-4,4,4-trifluoro-3-[(4-methylphenyl)sulfanylmethyl]butan-1-ol
CID 10563566
N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine
CID 66066786
1-(2-ethylsulfanylpropylsulfanyl)-4-methylbenzene
CID 146406080
2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
CID 66065568
6-methyl-1-(4-methylphenyl)sulfanyl-N-propylheptan-2-amine
CID 83160735
4-(4-methylphenyl)sulfanylbutan-2-ol
CID 10352661

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)sulfanylpropan-2-ylamino]ethanol?
The IUPAC name of 2-[1-(4-methylphenyl)sulfanylpropan-2-ylamino]ethanol (CID 119091882) is 2-[1-(4-methylphenyl)sulfanylpropan-2-ylamino]ethanol.
What is the SMILES notation for 2-[1-(4-methylphenyl)sulfanylpropan-2-ylamino]ethanol?
The canonical SMILES for 2-[1-(4-methylphenyl)sulfanylpropan-2-ylamino]ethanol is Cc1ccc(SCC(C)NCCO)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)sulfanylpropan-2-ylamino]ethanol?
The InChIKey is DJPPAVXOCJKSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10-3-5-12(6-4-10)15-9-11(2)13-7-8-14/h3-6,11,13-14H,7-9H2,1-2H3.
What are the key properties of 2-[1-(4-methylphenyl)sulfanylpropan-2-ylamino]ethanol?
2-[1-(4-methylphenyl)sulfanylpropan-2-ylamino]ethanol has a molecular weight of 225.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)sulfanylpropan-2-ylamino]ethanol is sourced from PubChem (CID 119091882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).