1-(3-ethoxy-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine

C15H20N2O2S — CID 61280616

IUPAC1-(3-ethoxy-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCCOc1cccc(CNCc2cnc(C)s2)c1OC
InChIInChI=1S/C15H20N2O2S/c1-4-19-14-7-5-6-12(15(14)18-3)8-16-9-13-10-17-11(2)20-13/h5-7,10,16H,4,8-9H2,1-3H3
InChIKeyTUZRPVMIRIBYMR-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.15
Rot. Bonds7

About 1-(3-ethoxy-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine

1-(3-ethoxy-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 61280616) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(3-ethoxy-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-ethoxy-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID61280616
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-(3-ethoxy-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCCOc1cccc(CNCc2cnc(C)s2)c1OC
InChIInChI=1S/C15H20N2O2S/c1-4-19-14-7-5-6-12(15(14)18-3)8-16-9-13-10-17-11(2)20-13/h5-7,10,16H,4,8-9H2,1-3H3
InChIKeyTUZRPVMIRIBYMR-UHFFFAOYSA-N
XLogP3.15
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43221014
1-(3-ethoxy-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275113
1-(3-ethoxy-2-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 62522809
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79090813
N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112609118
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632638
1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 60777845
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 62196174
N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43220481
methyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzoate
CID 61281603
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765654
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353060

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(3-ethoxy-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 61280616) is 1-(3-ethoxy-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-ethoxy-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(3-ethoxy-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine is CCOc1cccc(CNCc2cnc(C)s2)c1OC.
What is the InChIKey of 1-(3-ethoxy-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is TUZRPVMIRIBYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-4-19-14-7-5-6-12(15(14)18-3)8-16-9-13-10-17-11(2)20-13/h5-7,10,16H,4,8-9H2,1-3H3.
What are the key properties of 1-(3-ethoxy-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-(3-ethoxy-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 292.40 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 61280616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).