(1R)-1-(2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine

C15H20N2OS — CID 81396832

IUPAC(1R)-1-(2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCOc1ccccc1[C@@H](C)NC(C)c1csc(C)n1
InChIInChI=1S/C15H20N2OS/c1-10(13-7-5-6-8-15(13)18-4)16-11(2)14-9-19-12(3)17-14/h5-11,16H,1-4H3/t10-,11?/m1/s1
InChIKeyPEXGLGPEQFPAHR-NFJWQWPMSA-N
MW276.41 g/mol
LogP3.87
Rot. Bonds5

About (1R)-1-(2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine

(1R)-1-(2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine (PubChem CID 81396832) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is (1R)-1-(2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
PubChem CID81396832
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name(1R)-1-(2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCOc1ccccc1[C@@H](C)NC(C)c1csc(C)n1
InChIInChI=1S/C15H20N2OS/c1-10(13-7-5-6-8-15(13)18-4)16-11(2)14-9-19-12(3)17-14/h5-11,16H,1-4H3/t10-,11?/m1/s1
InChIKeyPEXGLGPEQFPAHR-NFJWQWPMSA-N
XLogP3.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
(1R)-1-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781229
(1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81396845
1-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777151
(1R)-N-[1-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373592
(1S)-1-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81346960
(1S)-1-(furan-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81409314
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
1-(1-benzofuran-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 43722038
(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 101003205
methyl (2S)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 43723777
1-(4-tert-butylphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 43674139

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine (CID 81396832) is (1R)-1-(2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine is COc1ccccc1[C@@H](C)NC(C)c1csc(C)n1.
What is the InChIKey of (1R)-1-(2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The InChIKey is PEXGLGPEQFPAHR-NFJWQWPMSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10(13-7-5-6-8-15(13)18-4)16-11(2)14-9-19-12(3)17-14/h5-11,16H,1-4H3/t10-,11?/m1/s1.
What are the key properties of (1R)-1-(2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
(1R)-1-(2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 81396832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).