[2-(2-methoxyethoxy)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine

C16H23N3O2 — CID 105180506

IUPAC[2-(2-methoxyethoxy)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCOCCOc1ccccc1C(N)c1c(C)nn(C)c1C
InChIInChI=1S/C16H23N3O2/c1-11-15(12(2)19(3)18-11)16(17)13-7-5-6-8-14(13)21-10-9-20-4/h5-8,16H,9-10,17H2,1-4H3
InChIKeyKIXYZRBKZYAPGR-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.11
Rot. Bonds6

About [2-(2-methoxyethoxy)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine

[2-(2-methoxyethoxy)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine (PubChem CID 105180506) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [2-(2-methoxyethoxy)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name[2-(2-methoxyethoxy)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
PubChem CID105180506
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[2-(2-methoxyethoxy)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCOCCOc1ccccc1C(N)c1c(C)nn(C)c1C
InChIInChI=1S/C16H23N3O2/c1-11-15(12(2)19(3)18-11)16(17)13-7-5-6-8-14(13)21-10-9-20-4/h5-8,16H,9-10,17H2,1-4H3
InChIKeyKIXYZRBKZYAPGR-UHFFFAOYSA-N
XLogP2.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-chlorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 115580073
N-methyl-1-(2-propoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105180782
(2-ethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105095910
(2-fluoro-5-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035244
[2-(2-methoxyethoxy)phenyl]-(4-methyl-2-pyridinyl)methanamine
CID 104660123
[2-(2-methoxyethoxy)phenyl]-(6-methoxypyridazin-3-yl)methanamine
CID 103374065
[(1,3-dimethylpyrazol-4-yl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine
CID 102805185
1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine
CID 113438261
[2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine
CID 104659745
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
quinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105172503
(3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 103444018

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethoxy)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The IUPAC name of [2-(2-methoxyethoxy)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine (CID 105180506) is [2-(2-methoxyethoxy)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for [2-(2-methoxyethoxy)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The canonical SMILES for [2-(2-methoxyethoxy)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine is COCCOc1ccccc1C(N)c1c(C)nn(C)c1C.
What is the InChIKey of [2-(2-methoxyethoxy)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The InChIKey is KIXYZRBKZYAPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-15(12(2)19(3)18-11)16(17)13-7-5-6-8-14(13)21-10-9-20-4/h5-8,16H,9-10,17H2,1-4H3.
What are the key properties of [2-(2-methoxyethoxy)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine?
[2-(2-methoxyethoxy)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine has a molecular weight of 289.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethoxy)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 105180506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).