N-methyl-2-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanamine

C14H19N3 — CID 43485902

IUPACN-methyl-2-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCNC(Cc1ccccc1C)c1cnn(C)c1
InChIInChI=1S/C14H19N3/c1-11-6-4-5-7-12(11)8-14(15-2)13-9-16-17(3)10-13/h4-7,9-10,14-15H,8H2,1-3H3
InChIKeyXEJGBOQWCXISLZ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.23
Rot. Bonds4

About N-methyl-2-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanamine

N-methyl-2-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 43485902) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-methyl-2-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID43485902
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-methyl-2-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCNC(Cc1ccccc1C)c1cnn(C)c1
InChIInChI=1S/C14H19N3/c1-11-6-4-5-7-12(11)8-14(15-2)13-9-16-17(3)10-13/h4-7,9-10,14-15H,8H2,1-3H3
InChIKeyXEJGBOQWCXISLZ-UHFFFAOYSA-N
XLogP2.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65142083
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 79750179
N-methyl-2-[(2-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62515440
N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine
CID 103010532
[2-(2-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105237349
N-methyl-2-(2-methylphenyl)-1-naphthalen-2-ylethanamine
CID 63417370
N-methyl-1-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79824383
1-(2-ethylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 115809291
1-(3-iodophenyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 61063844
N-methyl-2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 66088931
4-[2-(methylamino)-2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
CID 65195778
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CID 114687384

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of N-methyl-2-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanamine (CID 43485902) is N-methyl-2-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanamine is CNC(Cc1ccccc1C)c1cnn(C)c1.
What is the InChIKey of N-methyl-2-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is XEJGBOQWCXISLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-6-4-5-7-12(11)8-14(15-2)13-9-16-17(3)10-13/h4-7,9-10,14-15H,8H2,1-3H3.
What are the key properties of N-methyl-2-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanamine?
N-methyl-2-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 43485902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).