2-(2-methoxyethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline

C15H21N3O — CID 102848915

IUPAC2-(2-methoxyethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline
SMILESCOCCc1ccccc1NC(C)c1cnn(C)c1
InChIInChI=1S/C15H21N3O/c1-12(14-10-16-18(2)11-14)17-15-7-5-4-6-13(15)8-9-19-3/h4-7,10-12,17H,8-9H2,1-3H3
InChIKeyVQHBBNZOLDZHLC-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.78
Rot. Bonds6

About 2-(2-methoxyethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline

2-(2-methoxyethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline (PubChem CID 102848915) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline
PubChem CID102848915
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(2-methoxyethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline
SMILESCOCCc1ccccc1NC(C)c1cnn(C)c1
InChIInChI=1S/C15H21N3O/c1-12(14-10-16-18(2)11-14)17-15-7-5-4-6-13(15)8-9-19-3/h4-7,10-12,17H,8-9H2,1-3H3
InChIKeyVQHBBNZOLDZHLC-UHFFFAOYSA-N
XLogP2.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[2-(2-methoxyethyl)anilino]ethyl]phenol
CID 102903882
2-(2-methoxyethyl)-N-propan-2-ylaniline
CID 102847364
N-(4-methoxybutan-2-yl)-2-(2-methoxyethyl)aniline
CID 102849074
N-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline
CID 102903779
3-[1-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carboxylic acid
CID 114286400
N-but-3-en-2-yl-2-(2-methoxyethyl)aniline
CID 107908300
2-(2-methoxyethyl)-N-pent-1-yn-3-ylaniline
CID 102904964
2-[1-[2-(2-methoxyethyl)anilino]ethyl]-5-methylphenol
CID 102848911
methyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate
CID 102905002
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline
CID 102849008
3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid
CID 103268791
2-(methoxymethyl)-N-(1-pyridin-3-ylethyl)aniline
CID 43677982

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline?
The IUPAC name of 2-(2-methoxyethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline (CID 102848915) is 2-(2-methoxyethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline.
What is the SMILES notation for 2-(2-methoxyethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline?
The canonical SMILES for 2-(2-methoxyethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline is COCCc1ccccc1NC(C)c1cnn(C)c1.
What is the InChIKey of 2-(2-methoxyethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline?
The InChIKey is VQHBBNZOLDZHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(14-10-16-18(2)11-14)17-15-7-5-4-6-13(15)8-9-19-3/h4-7,10-12,17H,8-9H2,1-3H3.
What are the key properties of 2-(2-methoxyethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline?
2-(2-methoxyethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline has a molecular weight of 259.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline is sourced from PubChem (CID 102848915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).