2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine

C14H20N4 — CID 114687515

IUPAC2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
SMILESCNC(Cc1cc(C)cc(C)c1)c1cnnn1C
InChIInChI=1S/C14H20N4/c1-10-5-11(2)7-12(6-10)8-13(15-3)14-9-16-17-18(14)4/h5-7,9,13,15H,8H2,1-4H3
InChIKeyILESFAUFHAHKAI-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.94
Rot. Bonds4

About 2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine

2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine (PubChem CID 114687515) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
PubChem CID114687515
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
SMILESCNC(Cc1cc(C)cc(C)c1)c1cnnn1C
InChIInChI=1S/C14H20N4/c1-10-5-11(2)7-12(6-10)8-13(15-3)14-9-16-17-18(14)4/h5-7,9,13,15H,8H2,1-4H3
InChIKeyILESFAUFHAHKAI-UHFFFAOYSA-N
XLogP1.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
CID 114687519
2-(3-chlorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687049
2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63960987
N,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114687748
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 114649591
[2-(3,5-difluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine
CID 105206647
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687616
N-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
CID 114687476
2-cyclopentyl-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 105043854
N-methyl-1-(3-methyltriazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105184598
1-(4,6-dimethyl-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114269405
2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686393

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine (CID 114687515) is 2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine is CNC(Cc1cc(C)cc(C)c1)c1cnnn1C.
What is the InChIKey of 2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine?
The InChIKey is ILESFAUFHAHKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-5-11(2)7-12(6-10)8-13(15-3)14-9-16-17-18(14)4/h5-7,9,13,15H,8H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine?
2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine has a molecular weight of 244.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 114687515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).