(2R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine

C14H23NO2S — CID 97322629

IUPAC(2R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine
SMILESCOc1ccc([C@@H](C)N[C@H](C)CSC)c(OC)c1
InChIInChI=1S/C14H23NO2S/c1-10(9-18-5)15-11(2)13-7-6-12(16-3)8-14(13)17-4/h6-8,10-11,15H,9H2,1-5H3/t10-,11-/m1/s1
InChIKeySTDBGURJCRFXRA-GHMZBOCLSA-N
MW269.41 g/mol
LogP3.11
Rot. Bonds7

About (2R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine

(2R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine (PubChem CID 97322629) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine
PubChem CID97322629
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name(2R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine
SMILESCOc1ccc([C@@H](C)N[C@H](C)CSC)c(OC)c1
InChIInChI=1S/C14H23NO2S/c1-10(9-18-5)15-11(2)13-7-6-12(16-3)8-14(13)17-4/h6-8,10-11,15H,9H2,1-5H3/t10-,11-/m1/s1
InChIKeySTDBGURJCRFXRA-GHMZBOCLSA-N
XLogP3.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721691
N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 113261809
N-[1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64629515
N-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115663810
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115721915
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylbutan-1-ol
CID 115722852
4-[3-[1-(2,4-dimethoxyphenyl)ethylamino]butyl]phenol
CID 119165274
(1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine
CID 81350448
1-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 43206054
1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720480
N-[1-(2,4-dimethoxyphenyl)ethyl]but-2-yn-1-amine
CID 115896882

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine?
The IUPAC name of (2R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine (CID 97322629) is (2R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for (2R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine?
The canonical SMILES for (2R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine is COc1ccc([C@@H](C)N[C@H](C)CSC)c(OC)c1.
What is the InChIKey of (2R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine?
The InChIKey is STDBGURJCRFXRA-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-10(9-18-5)15-11(2)13-7-6-12(16-3)8-14(13)17-4/h6-8,10-11,15H,9H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine?
(2R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine has a molecular weight of 269.41 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 97322629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).