3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

C16H22N2O2S — CID 83977399

IUPAC3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCOc1cccc(CC(CN)c2nc(C)cs2)c1OC
InChIInChI=1S/C16H22N2O2S/c1-4-20-14-7-5-6-12(15(14)19-3)8-13(9-17)16-18-11(2)10-21-16/h5-7,10,13H,4,8-9,17H2,1-3H3
InChIKeyGIQFHYDIKDDQMK-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.14
Rot. Bonds7

About 3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 83977399) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID83977399
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCOc1cccc(CC(CN)c2nc(C)cs2)c1OC
InChIInChI=1S/C16H22N2O2S/c1-4-20-14-7-5-6-12(15(14)19-3)8-13(9-17)16-18-11(2)10-21-16/h5-7,10,13H,4,8-9,17H2,1-3H3
InChIKeyGIQFHYDIKDDQMK-UHFFFAOYSA-N
XLogP3.14
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977375
3-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977372
3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977361
3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine
CID 83972548
3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 112538999
3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977408
4-[3-amino-2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-chloro-6-ethoxyphenol
CID 83977365
3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine
CID 82160341
2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxy-2-propoxyphenyl)propan-1-amine
CID 83977702
1-(2-chlorobutyl)-3-ethoxy-2-methoxybenzene
CID 82161429
3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 83973795
3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973334

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (CID 83977399) is 3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is CCOc1cccc(CC(CN)c2nc(C)cs2)c1OC.
What is the InChIKey of 3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is GIQFHYDIKDDQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-4-20-14-7-5-6-12(15(14)19-3)8-13(9-17)16-18-11(2)10-21-16/h5-7,10,13H,4,8-9,17H2,1-3H3.
What are the key properties of 3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 306.43 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 83977399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).