1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine

C13H18N4 — CID 113374915

IUPAC1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine
SMILESCc1ccccc1C(C)NCCn1ccnn1
InChIInChI=1S/C13H18N4/c1-11-5-3-4-6-13(11)12(2)14-7-9-17-10-8-15-16-17/h3-6,8,10,12,14H,7,9H2,1-2H3
InChIKeyZNRBHYJZLNLVKY-UHFFFAOYSA-N
MW230.32 g/mol
LogP1.94
Rot. Bonds5

About 1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine

1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine (PubChem CID 113374915) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine
PubChem CID113374915
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC Name1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine
SMILESCc1ccccc1C(C)NCCn1ccnn1
InChIInChI=1S/C13H18N4/c1-11-5-3-4-6-13(11)12(2)14-7-9-17-10-8-15-16-17/h3-6,8,10,12,14H,7,9H2,1-2H3
InChIKeyZNRBHYJZLNLVKY-UHFFFAOYSA-N
XLogP1.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine
CID 113374917
(1R)-1-(2-methylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81374023
N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 61239803
N-[(1S)-1-(2-methylphenyl)ethyl]but-3-en-1-amine
CID 81374868
1-[4-[2-[1-(2-methylphenyl)ethylamino]ethyl]piperazin-1-yl]ethanone
CID 75382751
(2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol
CID 96784262
3,3-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 81375562
N-[1-(2-methylphenyl)ethyl]pentan-1-amine
CID 43177677
N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
CID 60889520
1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941173
N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine
CID 81373594
(1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81375507

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine (CID 113374915) is 1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine is Cc1ccccc1C(C)NCCn1ccnn1.
What is the InChIKey of 1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine?
The InChIKey is ZNRBHYJZLNLVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-11-5-3-4-6-13(11)12(2)14-7-9-17-10-8-15-16-17/h3-6,8,10,12,14H,7,9H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine?
1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine has a molecular weight of 230.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine is sourced from PubChem (CID 113374915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).