(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine

C11H19NOS — CID 95310720

IUPAC(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
SMILESCOC[C@@H](C)N[C@@H](C)c1sccc1C
InChIInChI=1S/C11H19NOS/c1-8-5-6-14-11(8)10(3)12-9(2)7-13-4/h5-6,9-10,12H,7H2,1-4H3/t9-,10+/m1/s1
InChIKeyRSOGWUMGRFWILS-ZJUUUORDSA-N
MW213.35 g/mol
LogP2.74
Rot. Bonds5

About (2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine

(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine (PubChem CID 95310720) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is (2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
PubChem CID95310720
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
SMILESCOC[C@@H](C)N[C@@H](C)c1sccc1C
InChIInChI=1S/C11H19NOS/c1-8-5-6-14-11(8)10(3)12-9(2)7-13-4/h5-6,9-10,12H,7H2,1-4H3/t9-,10+/m1/s1
InChIKeyRSOGWUMGRFWILS-ZJUUUORDSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 95369394
1-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
CID 63992692
N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 63992990
(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine
CID 82946292
N-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine
CID 82712468
N-[1-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 63993041
4-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 95310819
4-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 63992497
1-methoxy-N-[(1S)-1-thiophen-2-ylethyl]propan-2-amine
CID 81399226
5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine
CID 115714840
N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine
CID 82709754

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine?
The IUPAC name of (2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine (CID 95310720) is (2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for (2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine?
The canonical SMILES for (2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine is COC[C@@H](C)N[C@@H](C)c1sccc1C.
What is the InChIKey of (2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine?
The InChIKey is RSOGWUMGRFWILS-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H19NOS/c1-8-5-6-14-11(8)10(3)12-9(2)7-13-4/h5-6,9-10,12H,7H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of (2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine?
(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 95310720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).