2-(1-methyltriazol-4-yl)-1-(3,4,5-trimethoxyphenyl)ethanamine

C14H20N4O3 — CID 107064524

IUPAC2-(1-methyltriazol-4-yl)-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc(C(N)Cc2cn(C)nn2)cc(OC)c1OC
InChIInChI=1S/C14H20N4O3/c1-18-8-10(16-17-18)7-11(15)9-5-12(19-2)14(21-4)13(6-9)20-3/h5-6,8,11H,7,15H2,1-4H3
InChIKeyWEFXCRQGQSCLOS-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.08
Rot. Bonds6

About 2-(1-methyltriazol-4-yl)-1-(3,4,5-trimethoxyphenyl)ethanamine

2-(1-methyltriazol-4-yl)-1-(3,4,5-trimethoxyphenyl)ethanamine (PubChem CID 107064524) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(1-methyltriazol-4-yl)-1-(3,4,5-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(1-methyltriazol-4-yl)-1-(3,4,5-trimethoxyphenyl)ethanamine
PubChem CID107064524
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-(1-methyltriazol-4-yl)-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc(C(N)Cc2cn(C)nn2)cc(OC)c1OC
InChIInChI=1S/C14H20N4O3/c1-18-8-10(16-17-18)7-11(15)9-5-12(19-2)14(21-4)13(6-9)20-3/h5-6,8,11H,7,15H2,1-4H3
InChIKeyWEFXCRQGQSCLOS-UHFFFAOYSA-N
XLogP1.08
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107048287
1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064200
1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063932
1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064211
(1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 28820340
(1S)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171199595
1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045928
1-(3,4,5-trimethoxyphenyl)butane-1,3-diamine
CID 116933323
(1R)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171199597
(1S)-3,3-difluoro-1-(3,4,5-trimethoxyphenyl)propan-1-amine
CID 171312849
2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107055170
(1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
CID 171219160

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltriazol-4-yl)-1-(3,4,5-trimethoxyphenyl)ethanamine?
The IUPAC name of 2-(1-methyltriazol-4-yl)-1-(3,4,5-trimethoxyphenyl)ethanamine (CID 107064524) is 2-(1-methyltriazol-4-yl)-1-(3,4,5-trimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(1-methyltriazol-4-yl)-1-(3,4,5-trimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(1-methyltriazol-4-yl)-1-(3,4,5-trimethoxyphenyl)ethanamine is COc1cc(C(N)Cc2cn(C)nn2)cc(OC)c1OC.
What is the InChIKey of 2-(1-methyltriazol-4-yl)-1-(3,4,5-trimethoxyphenyl)ethanamine?
The InChIKey is WEFXCRQGQSCLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-18-8-10(16-17-18)7-11(15)9-5-12(19-2)14(21-4)13(6-9)20-3/h5-6,8,11H,7,15H2,1-4H3.
What are the key properties of 2-(1-methyltriazol-4-yl)-1-(3,4,5-trimethoxyphenyl)ethanamine?
2-(1-methyltriazol-4-yl)-1-(3,4,5-trimethoxyphenyl)ethanamine has a molecular weight of 292.34 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltriazol-4-yl)-1-(3,4,5-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 107064524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).