1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

C15H20N2OS — CID 103433481

IUPAC1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCOc1c(C(N)Cc2csc(C)n2)ccc(C)c1C
InChIInChI=1S/C15H20N2OS/c1-9-5-6-13(15(18-4)10(9)2)14(16)7-12-8-19-11(3)17-12/h5-6,8,14H,7,16H2,1-4H3
InChIKeyQTJXCSKLHCBKBV-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.32
Rot. Bonds4

About 1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 103433481) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID103433481
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCOc1c(C(N)Cc2csc(C)n2)ccc(C)c1C
InChIInChI=1S/C15H20N2OS/c1-9-5-6-13(15(18-4)10(9)2)14(16)7-12-8-19-11(3)17-12/h5-6,8,14H,7,16H2,1-4H3
InChIKeyQTJXCSKLHCBKBV-UHFFFAOYSA-N
XLogP3.32
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105158960
1-(2-methylfuran-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104789770
1-(1H-indol-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 112743003
2-(2-chlorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
CID 103433437
2-(3-chlorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
CID 103433297
1-[3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-2-amine
CID 60908019
3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine
CID 116718491
1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 62798804
(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 94607240
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104996943
(2,6-dimethyl-4-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 107503056
1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104996976

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 103433481) is 1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is COc1c(C(N)Cc2csc(C)n2)ccc(C)c1C.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is QTJXCSKLHCBKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-9-5-6-13(15(18-4)10(9)2)14(16)7-12-8-19-11(3)17-12/h5-6,8,14H,7,16H2,1-4H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 103433481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).