2-(3,5-dimethylphenyl)-1-(3-ethyltriazol-4-yl)ethanamine

C14H20N4 — CID 114213187

IUPAC2-(3,5-dimethylphenyl)-1-(3-ethyltriazol-4-yl)ethanamine
SMILESCCn1nncc1C(N)Cc1cc(C)cc(C)c1
InChIInChI=1S/C14H20N4/c1-4-18-14(9-16-17-18)13(15)8-12-6-10(2)5-11(3)7-12/h5-7,9,13H,4,8,15H2,1-3H3
InChIKeyAPVJBHDFULFBCK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.16
Rot. Bonds4

About 2-(3,5-dimethylphenyl)-1-(3-ethyltriazol-4-yl)ethanamine

2-(3,5-dimethylphenyl)-1-(3-ethyltriazol-4-yl)ethanamine (PubChem CID 114213187) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(3-ethyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(3-ethyltriazol-4-yl)ethanamine
PubChem CID114213187
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-(3,5-dimethylphenyl)-1-(3-ethyltriazol-4-yl)ethanamine
SMILESCCn1nncc1C(N)Cc1cc(C)cc(C)c1
InChIInChI=1S/C14H20N4/c1-4-18-14(9-16-17-18)13(15)8-12-6-10(2)5-11(3)7-12/h5-7,9,13H,4,8,15H2,1-3H3
InChIKeyAPVJBHDFULFBCK-UHFFFAOYSA-N
XLogP2.16
TPSA56.73 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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686393
(3-ethyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 114213305
2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 63960986
(2S)-1-(3,5-dimethylphenyl)butan-2-amine
CID 104932267
1,2-bis(3,5-dimethylphenyl)ethanamine
CID 55096005
1-(3-ethyltriazol-4-yl)-2,2-difluoropropan-1-amine
CID 130715109
(3,5-dibromophenyl)-(3-ethyltriazol-4-yl)methanamine
CID 114213442
2-(3-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114687287
2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687515
1-(3-propyltriazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 114688165
N-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
CID 114687519
2-(3,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105079596

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(3-ethyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(3-ethyltriazol-4-yl)ethanamine (CID 114213187) is 2-(3,5-dimethylphenyl)-1-(3-ethyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(3-ethyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(3-ethyltriazol-4-yl)ethanamine is CCn1nncc1C(N)Cc1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(3-ethyltriazol-4-yl)ethanamine?
The InChIKey is APVJBHDFULFBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-18-14(9-16-17-18)13(15)8-12-6-10(2)5-11(3)7-12/h5-7,9,13H,4,8,15H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(3-ethyltriazol-4-yl)ethanamine?
2-(3,5-dimethylphenyl)-1-(3-ethyltriazol-4-yl)ethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.16, 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)-1-(3-ethyltriazol-4-yl)ethanamine is sourced from PubChem (CID 114213187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).