[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanamine

C15H22N4O2 — CID 82207504

IUPAC[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanamine
SMILESCCn1nnc(CN)c1CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22N4O2/c1-4-19-13(12(10-16)17-18-19)7-5-11-6-8-14(20-2)15(9-11)21-3/h6,8-9H,4-5,7,10,16H2,1-3H3
InChIKeyODNAVOZZVMMOKE-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.56
Rot. Bonds7

About [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanamine

[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanamine (PubChem CID 82207504) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanamine
PubChem CID82207504
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanamine
SMILESCCn1nnc(CN)c1CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22N4O2/c1-4-19-13(12(10-16)17-18-19)7-5-11-6-8-14(20-2)15(9-11)21-3/h6,8-9H,4-5,7,10,16H2,1-3H3
InChIKeyODNAVOZZVMMOKE-UHFFFAOYSA-N
XLogP1.56
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanol
CID 82207395
[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-propyltriazol-4-yl]methanol
CID 82205067
[5-(3,4-dimethoxyphenyl)-1-propyltriazol-4-yl]methanamine
CID 82205143
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
2-(3,4-dimethoxyphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]ethanamine
CID 19619312
[1-(3-methylbutyl)-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine
CID 82208453
[5-(3,4-dimethoxyphenyl)-1-propan-2-yltriazol-4-yl]methanamine
CID 82207058
4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene
CID 13133800
[5-butyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203267
(1-benzyl-5-propyltriazol-4-yl)methanamine
CID 82203130

Frequently Asked Questions

What is the IUPAC name of [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanamine?
The IUPAC name of [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanamine (CID 82207504) is [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanamine.
What is the SMILES notation for [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanamine?
The canonical SMILES for [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanamine is CCn1nnc(CN)c1CCc1ccc(OC)c(OC)c1.
What is the InChIKey of [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanamine?
The InChIKey is ODNAVOZZVMMOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-19-13(12(10-16)17-18-19)7-5-11-6-8-14(20-2)15(9-11)21-3/h6,8-9H,4-5,7,10,16H2,1-3H3.
What are the key properties of [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanamine?
[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanamine has a molecular weight of 290.37 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanamine is sourced from PubChem (CID 82207504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).