2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine

C17H26N4 — CID 114687598

IUPAC2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(Cc1ccc(C)c(C)c1)NCC
InChIInChI=1S/C17H26N4/c1-5-9-21-17(12-19-20-21)16(18-6-2)11-15-8-7-13(3)14(4)10-15/h7-8,10,12,16,18H,5-6,9,11H2,1-4H3
InChIKeyBQCKRFRNJQFSKN-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.20
Rot. Bonds7

About 2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine

2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine (PubChem CID 114687598) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
PubChem CID114687598
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(Cc1ccc(C)c(C)c1)NCC
InChIInChI=1S/C17H26N4/c1-5-9-21-17(12-19-20-21)16(18-6-2)11-15-8-7-13(3)14(4)10-15/h7-8,10,12,16,18H,5-6,9,11H2,1-4H3
InChIKeyBQCKRFRNJQFSKN-UHFFFAOYSA-N
XLogP3.20
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038808
2-(3,4-dimethylphenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63963537
N-ethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 114688493
2-(3,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 105038787
N-ethyl-3-(2-methylphenyl)-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105182279
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114687571
2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66273352
2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687105
N-[(5-chloro-2-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038903
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687612
N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 63963538
3-cyclopentyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038705

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine (CID 114687598) is 2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine is CCCn1nncc1C(Cc1ccc(C)c(C)c1)NCC.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine?
The InChIKey is BQCKRFRNJQFSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-5-9-21-17(12-19-20-21)16(18-6-2)11-15-8-7-13(3)14(4)10-15/h7-8,10,12,16,18H,5-6,9,11H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine?
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine has a molecular weight of 286.42 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine is sourced from PubChem (CID 114687598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).