1-(2,5-dimethoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine

C14H20N4O2 — CID 62757409

IUPAC1-(2,5-dimethoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
SMILESCOc1ccc(OC)c(C(C)NCc2cn(C)nn2)c1
InChIInChI=1S/C14H20N4O2/c1-10(15-8-11-9-18(2)17-16-11)13-7-12(19-3)5-6-14(13)20-4/h5-7,9-10,15H,8H2,1-4H3
InChIKeyKSFJIJXQFNDXFE-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.68
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine

1-(2,5-dimethoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine (PubChem CID 62757409) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
PubChem CID62757409
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-(2,5-dimethoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
SMILESCOc1ccc(OC)c(C(C)NCc2cn(C)nn2)c1
InChIInChI=1S/C14H20N4O2/c1-10(15-8-11-9-18(2)17-16-11)13-7-12(19-3)5-6-14(13)20-4/h5-7,9-10,15H,8H2,1-4H3
InChIKeyKSFJIJXQFNDXFE-UHFFFAOYSA-N
XLogP1.68
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 81397730
1-(2,5-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43722056
(1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 9396251
3-[4-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81389472
1-(2,4-dimethylphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 62755447
1-(2,5-dimethoxyphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115761519
1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063932
[1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066553
3-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide
CID 43400395
1-(2,5-dimethoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 62994899
1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 43182272
(1R)-N-[(1-methyltriazol-4-yl)methyl]-1-phenylethanamine
CID 79032580

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine (CID 62757409) is 1-(2,5-dimethoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine is COc1ccc(OC)c(C(C)NCc2cn(C)nn2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine?
The InChIKey is KSFJIJXQFNDXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(15-8-11-9-18(2)17-16-11)13-7-12(19-3)5-6-14(13)20-4/h5-7,9-10,15H,8H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine?
1-(2,5-dimethoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine has a molecular weight of 276.34 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 62757409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).