1-(3,4-dimethoxyphenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine

C15H20N2O2S — CID 79824580

IUPAC1-(3,4-dimethoxyphenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(Cc1ccc(OC)c(OC)c1)Cc1nccs1
InChIInChI=1S/C15H20N2O2S/c1-16-12(10-15-17-6-7-20-15)8-11-4-5-13(18-2)14(9-11)19-3/h4-7,9,12,16H,8,10H2,1-3H3
InChIKeyBKFFVCLCHSHZLA-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.53
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine

1-(3,4-dimethoxyphenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 79824580) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID79824580
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-(3,4-dimethoxyphenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(Cc1ccc(OC)c(OC)c1)Cc1nccs1
InChIInChI=1S/C15H20N2O2S/c1-16-12(10-15-17-6-7-20-15)8-11-4-5-13(18-2)14(9-11)19-3/h4-7,9,12,16H,8,10H2,1-3H3
InChIKeyBKFFVCLCHSHZLA-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-methyl-3-thiophen-2-ylpropan-2-amine
CID 62600246
1-(4-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824027
1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine
CID 79179584
N-[(3,4-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599693
3-(3,4-dimethoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 110476504
2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol
CID 20699494
1-(3,4-dimethoxyphenyl)-N,4,5,5-tetramethylhexan-2-amine
CID 63834170
1-(3,4-dimethoxyphenyl)-N-methylhept-5-yn-2-amine
CID 104804912
1-(3,4-dimethoxyphenyl)-N-methyl-5-methylsulfonylpentan-2-amine
CID 63192132
2-(3,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 49356856
1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824474
2-[1-bromo-2-(3,4-dimethoxyphenyl)ethyl]-3-methoxythiophene
CID 81129753

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine (CID 79824580) is 1-(3,4-dimethoxyphenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine is CNC(Cc1ccc(OC)c(OC)c1)Cc1nccs1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is BKFFVCLCHSHZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-16-12(10-15-17-6-7-20-15)8-11-4-5-13(18-2)14(9-11)19-3/h4-7,9,12,16H,8,10H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine?
1-(3,4-dimethoxyphenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 292.40 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 79824580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).