N-[[1-(4-methoxyphenyl)-3-methylpyrrol-2-yl]methyl]-N-methylaniline

C20H22N2O — CID 101360626

IUPACN-[[1-(4-methoxyphenyl)-3-methylpyrrol-2-yl]methyl]-N-methylaniline
SMILESCOc1ccc(-n2ccc(C)c2CN(C)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O/c1-16-13-14-22(18-9-11-19(23-3)12-10-18)20(16)15-21(2)17-7-5-4-6-8-17/h4-14H,15H2,1-3H3
InChIKeyOKGRNAIHVUCQDS-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.43
Rot. Bonds5

About N-[[1-(4-methoxyphenyl)-3-methylpyrrol-2-yl]methyl]-N-methylaniline

N-[[1-(4-methoxyphenyl)-3-methylpyrrol-2-yl]methyl]-N-methylaniline (PubChem CID 101360626) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)-3-methylpyrrol-2-yl]methyl]-N-methylaniline.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)-3-methylpyrrol-2-yl]methyl]-N-methylaniline
PubChem CID101360626
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-[[1-(4-methoxyphenyl)-3-methylpyrrol-2-yl]methyl]-N-methylaniline
SMILESCOc1ccc(-n2ccc(C)c2CN(C)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O/c1-16-13-14-22(18-9-11-19(23-3)12-10-18)20(16)15-21(2)17-7-5-4-6-8-17/h4-14H,15H2,1-3H3
InChIKeyOKGRNAIHVUCQDS-UHFFFAOYSA-N
XLogP4.43
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
N-(4-methoxyphenyl)-N-methyl-1-phenylindol-4-amine
CID 102574137
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 79243198
[1-(4-methoxyphenyl)-3-propylpyrrol-2-yl]methanol
CID 86019427
5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62003414
4-[(4-methoxy-N-methylanilino)methyl]-3-methylbenzoic acid
CID 114485460
N-(4-chlorobut-2-enyl)-4-methoxy-N-methylaniline
CID 77051140
4-[(4-methoxy-N-methylanilino)methyl]-3-methylbenzonitrile
CID 114481139
1,3-bis(4-methoxyphenyl)-2H-imidazole
CID 151621895
2-N-(4-methoxyphenyl)-6-N-methyl-4-N-(4-methylphenyl)-2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine
CID 59685810
4-[(4-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369991

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)-3-methylpyrrol-2-yl]methyl]-N-methylaniline?
The IUPAC name of N-[[1-(4-methoxyphenyl)-3-methylpyrrol-2-yl]methyl]-N-methylaniline (CID 101360626) is N-[[1-(4-methoxyphenyl)-3-methylpyrrol-2-yl]methyl]-N-methylaniline.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)-3-methylpyrrol-2-yl]methyl]-N-methylaniline?
The canonical SMILES for N-[[1-(4-methoxyphenyl)-3-methylpyrrol-2-yl]methyl]-N-methylaniline is COc1ccc(-n2ccc(C)c2CN(C)c2ccccc2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)-3-methylpyrrol-2-yl]methyl]-N-methylaniline?
The InChIKey is OKGRNAIHVUCQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-16-13-14-22(18-9-11-19(23-3)12-10-18)20(16)15-21(2)17-7-5-4-6-8-17/h4-14H,15H2,1-3H3.
What are the key properties of N-[[1-(4-methoxyphenyl)-3-methylpyrrol-2-yl]methyl]-N-methylaniline?
N-[[1-(4-methoxyphenyl)-3-methylpyrrol-2-yl]methyl]-N-methylaniline has a molecular weight of 306.41 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)-3-methylpyrrol-2-yl]methyl]-N-methylaniline is sourced from PubChem (CID 101360626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).