2-methoxy-N-[(4-methylphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamine

C21H25N3O — CID 46995980

IUPAC2-methoxy-N-[(4-methylphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamine
SMILESCOCCN(Cc1ccc(C)cc1)Cc1cccc(-n2cccn2)c1
InChIInChI=1S/C21H25N3O/c1-18-7-9-19(10-8-18)16-23(13-14-25-2)17-20-5-3-6-21(15-20)24-12-4-11-22-24/h3-12,15H,13-14,16-17H2,1-2H3
InChIKeyIPUIEZFKXCRETG-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.83
Rot. Bonds8

About 2-methoxy-N-[(4-methylphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamine

2-methoxy-N-[(4-methylphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamine (PubChem CID 46995980) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-methoxy-N-[(4-methylphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(4-methylphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamine
PubChem CID46995980
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-methoxy-N-[(4-methylphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamine
SMILESCOCCN(Cc1ccc(C)cc1)Cc1cccc(-n2cccn2)c1
InChIInChI=1S/C21H25N3O/c1-18-7-9-19(10-8-18)16-23(13-14-25-2)17-20-5-3-6-21(15-20)24-12-4-11-22-24/h3-12,15H,13-14,16-17H2,1-2H3
InChIKeyIPUIEZFKXCRETG-UHFFFAOYSA-N
XLogP3.83
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-3-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]propan-1-amine
CID 60514653
2-methoxy-N-[(4-methylphenyl)methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ethanamine
CID 46997104
N-[(4-tert-butylphenyl)methyl]-2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 7296815
N-[(1-benzylpyrrol-2-yl)methyl]-3-methoxy-N-[(4-methylphenyl)methyl]propan-1-amine
CID 7226372
1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]methanamine
CID 42404129
(3-pyrazol-1-ylphenyl)methylazanium
CID 3258757
(3-pyrazol-1-ylphenyl)methanamine;hydrochloride
CID 52988138
ethane;2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 143902975
2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 54968853
N'-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
CID 63285263
2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine
CID 112842027
2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135750965

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-methylphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(4-methylphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamine (CID 46995980) is 2-methoxy-N-[(4-methylphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(4-methylphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(4-methylphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamine is COCCN(Cc1ccc(C)cc1)Cc1cccc(-n2cccn2)c1.
What is the InChIKey of 2-methoxy-N-[(4-methylphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamine?
The InChIKey is IPUIEZFKXCRETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-18-7-9-19(10-8-18)16-23(13-14-25-2)17-20-5-3-6-21(15-20)24-12-4-11-22-24/h3-12,15H,13-14,16-17H2,1-2H3.
What are the key properties of 2-methoxy-N-[(4-methylphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamine?
2-methoxy-N-[(4-methylphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamine has a molecular weight of 335.45 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-methylphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 46995980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).