2,3-dimethyl-1-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-2-ol

C15H25NOS — CID 114497016

IUPAC2,3-dimethyl-1-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-2-ol
SMILESCNC(C)c1cccc(SCC(C)(O)C(C)C)c1
InChIInChI=1S/C15H25NOS/c1-11(2)15(4,17)10-18-14-8-6-7-13(9-14)12(3)16-5/h6-9,11-12,16-17H,10H2,1-5H3
InChIKeyUHZYGXLYJUGXIP-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.47
Rot. Bonds6

About 2,3-dimethyl-1-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-2-ol

2,3-dimethyl-1-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-2-ol (PubChem CID 114497016) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 2,3-dimethyl-1-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-2-ol
PubChem CID114497016
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name2,3-dimethyl-1-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-2-ol
SMILESCNC(C)c1cccc(SCC(C)(O)C(C)C)c1
InChIInChI=1S/C15H25NOS/c1-11(2)15(4,17)10-18-14-8-6-7-13(9-14)12(3)16-5/h6-9,11-12,16-17H,10H2,1-5H3
InChIKeyUHZYGXLYJUGXIP-UHFFFAOYSA-N
XLogP3.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]ethanamine
CID 64661334
methyl 2,2-dimethyl-3-[3-[1-(methylamino)ethyl]phenyl]sulfanylpropanoate
CID 79631485
1-[3-(3,3-dimethylbutylsulfanyl)phenyl]-N-methylethanamine
CID 64665486
N-methyl-1-(3-propan-2-ylsulfanylphenyl)ethanamine
CID 64663343
4-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-1-ol
CID 64661544
1-(3-but-2-enylsulfanylphenyl)-N-methylethanamine
CID 77055277
N-methyl-1-(3-pentylsulfanylphenyl)ethanamine
CID 64663527
2-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutanenitrile
CID 64666313
N-methyl-1-(3-nonylsulfanylphenyl)ethanamine
CID 64664208
1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2,3-dimethylbutan-2-ol
CID 114497084
1-(3-but-3-en-2-ylsulfanylphenyl)-N-methylethanamine
CID 64665485
N-methyl-1-[3-(2-propoxyethylsulfanyl)phenyl]ethanamine
CID 106458178

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-2-ol?
The IUPAC name of 2,3-dimethyl-1-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-2-ol (CID 114497016) is 2,3-dimethyl-1-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-2-ol is CNC(C)c1cccc(SCC(C)(O)C(C)C)c1.
What is the InChIKey of 2,3-dimethyl-1-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-2-ol?
The InChIKey is UHZYGXLYJUGXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-11(2)15(4,17)10-18-14-8-6-7-13(9-14)12(3)16-5/h6-9,11-12,16-17H,10H2,1-5H3.
What are the key properties of 2,3-dimethyl-1-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-2-ol?
2,3-dimethyl-1-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-2-ol has a molecular weight of 267.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-2-ol is sourced from PubChem (CID 114497016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).