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

C12H21NOS — CID 95369394

IUPAC(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
SMILESCC[C@H](COC)N[C@@H](C)c1sccc1C
InChIInChI=1S/C12H21NOS/c1-5-11(8-14-4)13-10(3)12-9(2)6-7-15-12/h6-7,10-11,13H,5,8H2,1-4H3/t10-,11+/m0/s1
InChIKeyFSBCHZYSJWHTGL-WDEREUQCSA-N
MW227.37 g/mol
LogP3.13
Rot. Bonds6

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

(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-2-amine (PubChem CID 95369394) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is (2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
PubChem CID95369394
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
SMILESCC[C@H](COC)N[C@@H](C)c1sccc1C
InChIInChI=1S/C12H21NOS/c1-5-11(8-14-4)13-10(3)12-9(2)6-7-15-12/h6-7,10-11,13H,5,8H2,1-4H3/t10-,11+/m0/s1
InChIKeyFSBCHZYSJWHTGL-WDEREUQCSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.13
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]propan-2-amine
CID 95310720
N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 63992990
1-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
CID 63992692
(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
1-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81373255
N-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine
CID 82712468
1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine
CID 82946292
4-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 63992497
4-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 95310819
N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine
CID 82709754
5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine
CID 115714840
N-[1-(3,5-dimethylphenyl)ethyl]-1-methoxybutan-2-amine
CID 81344361

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-2-amine?
The IUPAC name of (2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-2-amine (CID 95369394) is (2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-2-amine.
What is the SMILES notation for (2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-2-amine?
The canonical SMILES for (2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-2-amine is CC[C@H](COC)N[C@@H](C)c1sccc1C.
What is the InChIKey of (2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-2-amine?
The InChIKey is FSBCHZYSJWHTGL-WDEREUQCSA-N. The full InChI is InChI=1S/C12H21NOS/c1-5-11(8-14-4)13-10(3)12-9(2)6-7-15-12/h6-7,10-11,13H,5,8H2,1-4H3/t10-,11+/m0/s1.
What are the key properties of (2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-2-amine?
(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-2-amine has a molecular weight of 227.37 g/mol, XLogP of 3.13, 6 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]butan-2-amine is sourced from PubChem (CID 95369394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).