1-(2-methoxy-5-methylphenyl)-2-(4-methylpyrazol-1-yl)ethanamine

C14H19N3O — CID 60872721

IUPAC1-(2-methoxy-5-methylphenyl)-2-(4-methylpyrazol-1-yl)ethanamine
SMILESCOc1ccc(C)cc1C(N)Cn1cc(C)cn1
InChIInChI=1S/C14H19N3O/c1-10-4-5-14(18-3)12(6-10)13(15)9-17-8-11(2)7-16-17/h4-8,13H,9,15H2,1-3H3
InChIKeyCTGLDSAKQXJZSX-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.21
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-2-(4-methylpyrazol-1-yl)ethanamine

1-(2-methoxy-5-methylphenyl)-2-(4-methylpyrazol-1-yl)ethanamine (PubChem CID 60872721) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-(4-methylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-(4-methylpyrazol-1-yl)ethanamine
PubChem CID60872721
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-(4-methylpyrazol-1-yl)ethanamine
SMILESCOc1ccc(C)cc1C(N)Cn1cc(C)cn1
InChIInChI=1S/C14H19N3O/c1-10-4-5-14(18-3)12(6-10)13(15)9-17-8-11(2)7-16-17/h4-8,13H,9,15H2,1-3H3
InChIKeyCTGLDSAKQXJZSX-UHFFFAOYSA-N
XLogP2.21
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
1-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178956
(1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol
CID 95350933
3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63769350
1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064200
3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212246
1-(2-methoxy-5-methylphenyl)decan-1-amine
CID 65449338
1-(2-methoxy-5-methylphenyl)undecan-1-amine
CID 115845828
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64627842
1-(2-methoxy-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105002995
1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 64649533

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(4-methylpyrazol-1-yl)ethanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(4-methylpyrazol-1-yl)ethanamine (CID 60872721) is 1-(2-methoxy-5-methylphenyl)-2-(4-methylpyrazol-1-yl)ethanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-(4-methylpyrazol-1-yl)ethanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-(4-methylpyrazol-1-yl)ethanamine is COc1ccc(C)cc1C(N)Cn1cc(C)cn1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-(4-methylpyrazol-1-yl)ethanamine?
The InChIKey is CTGLDSAKQXJZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-4-5-14(18-3)12(6-10)13(15)9-17-8-11(2)7-16-17/h4-8,13H,9,15H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-(4-methylpyrazol-1-yl)ethanamine?
1-(2-methoxy-5-methylphenyl)-2-(4-methylpyrazol-1-yl)ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-(4-methylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 60872721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).