2-methoxy-N-[(4-methylphenyl)methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ethanamine

C20H24N4O — CID 46997104

IUPAC2-methoxy-N-[(4-methylphenyl)methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ethanamine
SMILESCOCCN(Cc1ccc(C)cc1)Cc1cccn1-c1ncccn1
InChIInChI=1S/C20H24N4O/c1-17-6-8-18(9-7-17)15-23(13-14-25-2)16-19-5-3-12-24(19)20-21-10-4-11-22-20/h3-12H,13-16H2,1-2H3
InChIKeyOXMPDBKVCOGMEG-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.22
Rot. Bonds8

About 2-methoxy-N-[(4-methylphenyl)methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ethanamine

2-methoxy-N-[(4-methylphenyl)methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ethanamine (PubChem CID 46997104) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-methoxy-N-[(4-methylphenyl)methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(4-methylphenyl)methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ethanamine
PubChem CID46997104
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-methoxy-N-[(4-methylphenyl)methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ethanamine
SMILESCOCCN(Cc1ccc(C)cc1)Cc1cccn1-c1ncccn1
InChIInChI=1S/C20H24N4O/c1-17-6-8-18(9-7-17)15-23(13-14-25-2)16-19-5-3-12-24(19)20-21-10-4-11-22-20/h3-12H,13-16H2,1-2H3
InChIKeyOXMPDBKVCOGMEG-UHFFFAOYSA-N
XLogP3.22
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzylpyrrol-2-yl)methyl]-3-methoxy-N-[(4-methylphenyl)methyl]propan-1-amine
CID 7226372
2-methoxy-N-[(4-methylphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamine
CID 46995980
1-(4-methylphenyl)-N-[[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-N-(pyridin-4-ylmethyl)methanamine
CID 46953874
N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]prop-2-en-1-amine
CID 42795108
2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 54968853
N-[(4-tert-butylphenyl)methyl]-2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 7296815
ethane;2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 143902975
2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135750965
2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 22951575
N-[(3,4-difluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 42797080
N'-ethyl-N'-(2-methoxyethyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 168901210
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-(1-pyrimidin-2-ylpyrrol-2-yl)methanamine
CID 50968556

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-methylphenyl)methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(4-methylphenyl)methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ethanamine (CID 46997104) is 2-methoxy-N-[(4-methylphenyl)methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(4-methylphenyl)methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(4-methylphenyl)methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ethanamine is COCCN(Cc1ccc(C)cc1)Cc1cccn1-c1ncccn1.
What is the InChIKey of 2-methoxy-N-[(4-methylphenyl)methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ethanamine?
The InChIKey is OXMPDBKVCOGMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-17-6-8-18(9-7-17)15-23(13-14-25-2)16-19-5-3-12-24(19)20-21-10-4-11-22-20/h3-12H,13-16H2,1-2H3.
What are the key properties of 2-methoxy-N-[(4-methylphenyl)methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ethanamine?
2-methoxy-N-[(4-methylphenyl)methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ethanamine has a molecular weight of 336.44 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-methylphenyl)methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ethanamine is sourced from PubChem (CID 46997104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).