N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine

C16H22N2OS — CID 105019303

IUPACN-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine
SMILESCCCOc1cccc(C(Cc2nc(C)cs2)NC)c1
InChIInChI=1S/C16H22N2OS/c1-4-8-19-14-7-5-6-13(9-14)15(17-3)10-16-18-12(2)11-20-16/h5-7,9,11,15,17H,4,8,10H2,1-3H3
InChIKeyJXKJOCBVXFUNIU-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.74
Rot. Bonds7

About N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine

N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine (PubChem CID 105019303) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine
PubChem CID105019303
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine
SMILESCCCOc1cccc(C(Cc2nc(C)cs2)NC)c1
InChIInChI=1S/C16H22N2OS/c1-4-8-19-14-7-5-6-13(9-14)15(17-3)10-16-18-12(2)11-20-16/h5-7,9,11,15,17H,4,8,10H2,1-3H3
InChIKeyJXKJOCBVXFUNIU-UHFFFAOYSA-N
XLogP3.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine
CID 104996199
2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine
CID 115842505
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 62796188
N-ethyl-1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62796536
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104686
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62796362
1-(2-methoxypyrimidin-5-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 112747522
1-(4-chloro-3-fluorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 107994603
1-(3-bromo-4-chlorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 113337124
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-thiophen-2-ylethanamine
CID 62795850

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine?
The IUPAC name of N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine (CID 105019303) is N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine?
The canonical SMILES for N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine is CCCOc1cccc(C(Cc2nc(C)cs2)NC)c1.
What is the InChIKey of N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine?
The InChIKey is JXKJOCBVXFUNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-8-19-14-7-5-6-13(9-14)15(17-3)10-16-18-12(2)11-20-16/h5-7,9,11,15,17H,4,8,10H2,1-3H3.
What are the key properties of N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine?
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine is sourced from PubChem (CID 105019303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).