3-(2-methoxyethoxymethyl)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline

C15H21N3O2 — CID 60972440

IUPAC3-(2-methoxyethoxymethyl)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
SMILESCOCCOCc1cccc(NC(C)c2ccn[nH]2)c1
InChIInChI=1S/C15H21N3O2/c1-12(15-6-7-16-18-15)17-14-5-3-4-13(10-14)11-20-9-8-19-2/h3-7,10,12,17H,8-9,11H2,1-2H3,(H,16,18)
InChIKeyRGXSOJNKVHHLFT-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.75
Rot. Bonds8

About 3-(2-methoxyethoxymethyl)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline

3-(2-methoxyethoxymethyl)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline (PubChem CID 60972440) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(2-methoxyethoxymethyl)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name3-(2-methoxyethoxymethyl)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
PubChem CID60972440
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(2-methoxyethoxymethyl)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
SMILESCOCCOCc1cccc(NC(C)c2ccn[nH]2)c1
InChIInChI=1S/C15H21N3O2/c1-12(15-6-7-16-18-15)17-14-5-3-4-13(10-14)11-20-9-8-19-2/h3-7,10,12,17H,8-9,11H2,1-2H3,(H,16,18)
InChIKeyRGXSOJNKVHHLFT-UHFFFAOYSA-N
XLogP2.75
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline
CID 60942752
N-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]propanamide
CID 54881184
2-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenoxy]acetamide
CID 54881785
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
2-[3-(2-methoxyethoxymethyl)anilino]butanoic acid
CID 115353092
N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline
CID 103439171
N-[1-(1H-pyrazol-5-yl)ethyl]-3-(2H-tetrazol-5-yl)aniline
CID 54881777
N'-tert-butyl-N-[3-(2-methoxyethoxymethyl)phenyl]ethane-1,2-diamine
CID 107445342
N-[1-(1H-pyrazol-5-yl)ethyl]pyrimidin-5-amine
CID 107587588
3-(2-methoxyethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62759745
N-[1-(1H-pyrazol-5-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 54881716
3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline
CID 62534298

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxymethyl)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
The IUPAC name of 3-(2-methoxyethoxymethyl)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline (CID 60972440) is 3-(2-methoxyethoxymethyl)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline.
What is the SMILES notation for 3-(2-methoxyethoxymethyl)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
The canonical SMILES for 3-(2-methoxyethoxymethyl)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline is COCCOCc1cccc(NC(C)c2ccn[nH]2)c1.
What is the InChIKey of 3-(2-methoxyethoxymethyl)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
The InChIKey is RGXSOJNKVHHLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12(15-6-7-16-18-15)17-14-5-3-4-13(10-14)11-20-9-8-19-2/h3-7,10,12,17H,8-9,11H2,1-2H3,(H,16,18).
What are the key properties of 3-(2-methoxyethoxymethyl)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
3-(2-methoxyethoxymethyl)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline has a molecular weight of 275.35 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxymethyl)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline is sourced from PubChem (CID 60972440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).