2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-2-ol

C14H23NOS — CID 65337707

IUPAC2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-2-ol
SMILESCSc1ccc(C(C)NC(C)C(C)(C)O)cc1
InChIInChI=1S/C14H23NOS/c1-10(15-11(2)14(3,4)16)12-6-8-13(17-5)9-7-12/h6-11,15-16H,1-5H3
InChIKeyRTRAEPOAGFKDMC-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.22
Rot. Bonds5

About 2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-2-ol

2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-2-ol (PubChem CID 65337707) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-2-ol
PubChem CID65337707
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-2-ol
SMILESCSc1ccc(C(C)NC(C)C(C)(C)O)cc1
InChIInChI=1S/C14H23NOS/c1-10(15-11(2)14(3,4)16)12-6-8-13(17-5)9-7-12/h6-11,15-16H,1-5H3
InChIKeyRTRAEPOAGFKDMC-UHFFFAOYSA-N
XLogP3.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[1-(4-methylsulfanylphenyl)ethylamino]propanamide
CID 115581036
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 81355164
N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 43107996
2-methyl-1-(methylamino)-1-(4-methylsulfanylphenyl)propan-2-ol
CID 116957246
2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-1-ol
CID 113247027
4-methoxy-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pentan-2-amine
CID 43693156
2-methyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol
CID 113246998
4,4-dimethyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol
CID 103717034
1-ethylsulfanyl-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine
CID 113247045
3-[1-(2,6-difluorophenyl)ethylamino]-2-methylbutan-2-ol
CID 65337460
3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-2-amine
CID 104827855
1-(4-methylsulfanylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79139134

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-2-ol?
The IUPAC name of 2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-2-ol (CID 65337707) is 2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-2-ol is CSc1ccc(C(C)NC(C)C(C)(C)O)cc1.
What is the InChIKey of 2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-2-ol?
The InChIKey is RTRAEPOAGFKDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-10(15-11(2)14(3,4)16)12-6-8-13(17-5)9-7-12/h6-11,15-16H,1-5H3.
What are the key properties of 2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-2-ol?
2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-2-ol has a molecular weight of 253.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-2-ol is sourced from PubChem (CID 65337707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).