N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-N-methyl-1-phenylmethanamine

C20H22N2O — CID 5104530

IUPACN-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-N-methyl-1-phenylmethanamine
SMILESCOc1ccccc1-n1cccc1CN(C)Cc1ccccc1
InChIInChI=1S/C20H22N2O/c1-21(15-17-9-4-3-5-10-17)16-18-11-8-14-22(18)19-12-6-7-13-20(19)23-2/h3-14H,15-16H2,1-2H3
InChIKeyNEOLXYLMGAGKBM-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.12
Rot. Bonds6

About N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-N-methyl-1-phenylmethanamine

N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-N-methyl-1-phenylmethanamine (PubChem CID 5104530) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-N-methyl-1-phenylmethanamine
PubChem CID5104530
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-N-methyl-1-phenylmethanamine
SMILESCOc1ccccc1-n1cccc1CN(C)Cc1ccccc1
InChIInChI=1S/C20H22N2O/c1-21(15-17-9-4-3-5-10-17)16-18-11-8-14-22(18)19-12-6-7-13-20(19)23-2/h3-14H,15-16H2,1-2H3
InChIKeyNEOLXYLMGAGKBM-UHFFFAOYSA-N
XLogP4.12
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-methoxyphenyl)pyrrol-2-yl]propan-1-amine
CID 170879075
N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 5024229
2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 62051933
3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline
CID 43247150
1-heptyl-1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-3-(2,4,6-trifluorophenyl)urea
CID 139657090
[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine
CID 65340886
[3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol
CID 62019327
N-benzyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-2-amine
CID 112890988
(3R)-3-[benzyl(methyl)amino]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 754275
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 16555071
2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thione
CID 46697351
N-benzyl-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 42303137

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-N-methyl-1-phenylmethanamine?
The IUPAC name of N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-N-methyl-1-phenylmethanamine (CID 5104530) is N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-N-methyl-1-phenylmethanamine.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-N-methyl-1-phenylmethanamine?
The canonical SMILES for N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-N-methyl-1-phenylmethanamine is COc1ccccc1-n1cccc1CN(C)Cc1ccccc1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-N-methyl-1-phenylmethanamine?
The InChIKey is NEOLXYLMGAGKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-21(15-17-9-4-3-5-10-17)16-18-11-8-14-22(18)19-12-6-7-13-20(19)23-2/h3-14H,15-16H2,1-2H3.
What are the key properties of N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-N-methyl-1-phenylmethanamine?
N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-N-methyl-1-phenylmethanamine has a molecular weight of 306.41 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 5104530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).