[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine

C14H18N2O — CID 20983279

IUPAC[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine
SMILESCOc1ccc(-n2c(C)cc(CN)c2C)cc1
InChIInChI=1S/C14H18N2O/c1-10-8-12(9-15)11(2)16(10)13-4-6-14(17-3)7-5-13/h4-8H,9,15H2,1-3H3
InChIKeyLTZKWMJXWMLEJP-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.56
Rot. Bonds3

About [1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine

[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine (PubChem CID 20983279) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine
PubChem CID20983279
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine
SMILESCOc1ccc(-n2c(C)cc(CN)c2C)cc1
InChIInChI=1S/C14H18N2O/c1-10-8-12(9-15)11(2)16(10)13-4-6-14(17-3)7-5-13/h4-8H,9,15H2,1-3H3
InChIKeyLTZKWMJXWMLEJP-UHFFFAOYSA-N
XLogP2.56
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 742765
1-(4-Methoxyphenyl)-1H-pyrrole
CID 272427
N'-[(E)-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide
CID 9682462
[2-(4-Methoxy-phenyl)-ethyl]-(1-methyl-1H-pyrrol-2-ylmethyl)-amine
CID 17293376
(4-Methoxy-benzyl)-(1-methyl-1H-pyrrol-2-ylmethyl)-amine
CID 17332688
3-(2,5-Dimethyl-pyrrol-1-yl)-4-methoxy-phenylamine
CID 776878
1-(4-methoxybenzyl)-2,5-dimethyl-1H-pyrrole
CID 883333
N-[(E)-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-methylmethanamine
CID 6900623
[1-(4-methoxyphenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
CID 321900
4-methoxy-N-(2-pyrrolylidenemethyl)aniline
CID 781187
[1-(4-ethoxyphenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
CID 321867
[4-(Acetyloxymethyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl acetate
CID 321873

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine?
The IUPAC name of [1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine (CID 20983279) is [1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine.
What is the SMILES notation for [1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine?
The canonical SMILES for [1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine is COc1ccc(-n2c(C)cc(CN)c2C)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine?
The InChIKey is LTZKWMJXWMLEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-8-12(9-15)11(2)16(10)13-4-6-14(17-3)7-5-13/h4-8H,9,15H2,1-3H3.
What are the key properties of [1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine?
[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine has a molecular weight of 230.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine is sourced from PubChem (CID 20983279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).