2-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]propan-2-amine

C15H22N4O2 — CID 154687583

IUPAC2-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]propan-2-amine
SMILESCOc1ccc(CCn2cc(C(C)(C)N)nn2)cc1OC
InChIInChI=1S/C15H22N4O2/c1-15(2,16)14-10-19(18-17-14)8-7-11-5-6-12(20-3)13(9-11)21-4/h5-6,9-10H,7-8,16H2,1-4H3
InChIKeyBQRIDBVGXFXZGW-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.73
Rot. Bonds6

About 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]propan-2-amine

2-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]propan-2-amine (PubChem CID 154687583) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]propan-2-amine
PubChem CID154687583
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]propan-2-amine
SMILESCOc1ccc(CCn2cc(C(C)(C)N)nn2)cc1OC
InChIInChI=1S/C15H22N4O2/c1-15(2,16)14-10-19(18-17-14)8-7-11-5-6-12(20-3)13(9-11)21-4/h5-6,9-10H,7-8,16H2,1-4H3
InChIKeyBQRIDBVGXFXZGW-UHFFFAOYSA-N
XLogP1.73
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3-phenylpropyl)triazol-4-yl]propan-2-amine
CID 63999545
4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine
CID 91666775
1-[2-(3-bromo-4-methoxyphenyl)ethyl]-4-[[1-[2-(3-bromo-4-methoxyphenyl)ethyl]triazol-4-yl]methoxymethyl]triazole
CID 129246784
1-(4-tert-butyltriazol-1-yl)-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol
CID 166251416
1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine
CID 79529466
1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503243
6-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
CID 944065
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
1-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 5002886
3-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrazole-3,4-diamine
CID 103077847
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136241
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]propan-2-amine?
The IUPAC name of 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]propan-2-amine (CID 154687583) is 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]propan-2-amine is COc1ccc(CCn2cc(C(C)(C)N)nn2)cc1OC.
What is the InChIKey of 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]propan-2-amine?
The InChIKey is BQRIDBVGXFXZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-15(2,16)14-10-19(18-17-14)8-7-11-5-6-12(20-3)13(9-11)21-4/h5-6,9-10H,7-8,16H2,1-4H3.
What are the key properties of 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]propan-2-amine?
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]propan-2-amine has a molecular weight of 290.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]propan-2-amine is sourced from PubChem (CID 154687583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).