N-[(2,6-dimethoxyphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine

C14H20N4O2 — CID 105043570

IUPACN-[(2,6-dimethoxyphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1c(OC)cccc1OC)c1cnnn1C
InChIInChI=1S/C14H20N4O2/c1-5-15-14(10-9-16-17-18(10)2)13-11(19-3)7-6-8-12(13)20-4/h6-9,14-15H,5H2,1-4H3
InChIKeyCKHDIRXVEWBCBU-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.53
Rot. Bonds6

About N-[(2,6-dimethoxyphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine

N-[(2,6-dimethoxyphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine (PubChem CID 105043570) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-dimethoxyphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine
PubChem CID105043570
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[(2,6-dimethoxyphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1c(OC)cccc1OC)c1cnnn1C
InChIInChI=1S/C14H20N4O2/c1-5-15-14(10-9-16-17-18(10)2)13-11(19-3)7-6-8-12(13)20-4/h6-9,14-15H,5H2,1-4H3
InChIKeyCKHDIRXVEWBCBU-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,6-dimethoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043571
N-[(2-fluoro-6-methoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114688697
N-[(2,6-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105188698
N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine
CID 43489150
N-[(3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 105043354
N-[(3-methyltriazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 105184470
N-[(5-bromofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043781
N-[(2,6-dimethoxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 116810303
N-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
CID 116810300
N-[(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 103444423
N-[(3-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105184574
N-[1-benzothiophen-3-yl-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043811

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2,6-dimethoxyphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine (CID 105043570) is N-[(2,6-dimethoxyphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-dimethoxyphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-dimethoxyphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine is CCNC(c1c(OC)cccc1OC)c1cnnn1C.
What is the InChIKey of N-[(2,6-dimethoxyphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The InChIKey is CKHDIRXVEWBCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-5-15-14(10-9-16-17-18(10)2)13-11(19-3)7-6-8-12(13)20-4/h6-9,14-15H,5H2,1-4H3.
What are the key properties of N-[(2,6-dimethoxyphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine?
N-[(2,6-dimethoxyphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine has a molecular weight of 276.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 105043570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).