(1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol

C13H21NOS — CID 103960340

IUPAC(1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N(C)CCSC
InChIInChI=1S/C13H21NOS/c1-4-13(15)11-7-5-6-8-12(11)14(2)9-10-16-3/h5-8,13,15H,4,9-10H2,1-3H3/t13-/m1/s1
InChIKeyLIBBZGBAUUWGJG-CYBMUJFWSA-N
MW239.38 g/mol
LogP2.93
Rot. Bonds6

About (1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol

(1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol (PubChem CID 103960340) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is (1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol
PubChem CID103960340
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name(1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N(C)CCSC
InChIInChI=1S/C13H21NOS/c1-4-13(15)11-7-5-6-8-12(11)14(2)9-10-16-3/h5-8,13,15H,4,9-10H2,1-3H3/t13-/m1/s1
InChIKeyLIBBZGBAUUWGJG-CYBMUJFWSA-N
XLogP2.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 113359035
1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol
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CID 113359068
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2-N-methyl-2-N-(2-methylsulfanylethyl)benzene-1,2-diamine
CID 112656826
(1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol
CID 103959642
1-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]propan-1-ol
CID 115996041
(1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol
CID 103959822
(1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol
CID 103959768
N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]-N-methylanilino]acetamide
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CID 22494911

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol (CID 103960340) is (1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1N(C)CCSC.
What is the InChIKey of (1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol?
The InChIKey is LIBBZGBAUUWGJG-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21NOS/c1-4-13(15)11-7-5-6-8-12(11)14(2)9-10-16-3/h5-8,13,15H,4,9-10H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol?
(1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 103960340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).