3-(2,5-dihydropyrrol-1-yl)-4-methoxyaniline

C11H14N2O — CID 79689324

IUPAC3-(2,5-dihydropyrrol-1-yl)-4-methoxyaniline
SMILESCOc1ccc(N)cc1N1CC=CC1
InChIInChI=1S/C11H14N2O/c1-14-11-5-4-9(12)8-10(11)13-6-2-3-7-13/h2-5,8H,6-7,12H2,1H3
InChIKeyDFWHKTDCQWUHAT-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.65
Rot. Bonds2

About 3-(2,5-dihydropyrrol-1-yl)-4-methoxyaniline

3-(2,5-dihydropyrrol-1-yl)-4-methoxyaniline (PubChem CID 79689324) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-(2,5-dihydropyrrol-1-yl)-4-methoxyaniline.

Molecular Properties

Compound Name3-(2,5-dihydropyrrol-1-yl)-4-methoxyaniline
PubChem CID79689324
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-(2,5-dihydropyrrol-1-yl)-4-methoxyaniline
SMILESCOc1ccc(N)cc1N1CC=CC1
InChIInChI=1S/C11H14N2O/c1-14-11-5-4-9(12)8-10(11)13-6-2-3-7-13/h2-5,8H,6-7,12H2,1H3
InChIKeyDFWHKTDCQWUHAT-UHFFFAOYSA-N
XLogP1.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3-(4-propylpiperazin-1-yl)aniline
CID 166926125
3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-methoxyaniline
CID 70202679
1-[4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 82533901
1-[4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-3-methylbut-2-en-1-one
CID 82533898
4-chloro-3-(2,5-dihydropyrrol-1-yl)aniline
CID 79688771
1-(5-amino-2-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 57198893
[4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 82533904
4-methoxy-3-(1,2,4-triazol-1-yl)aniline
CID 82512225
3-(3-bromo-2,5-dimethylpyrrol-1-yl)-4-methoxyaniline
CID 82514607
5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione
CID 139787309
3-(2,4-dimethylimidazol-1-yl)-4-methoxyaniline
CID 82512676
(3R,4S)-1-(4-amino-2-methoxyphenyl)pyrrolidine-3,4-diol
CID 58387717

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydropyrrol-1-yl)-4-methoxyaniline?
The IUPAC name of 3-(2,5-dihydropyrrol-1-yl)-4-methoxyaniline (CID 79689324) is 3-(2,5-dihydropyrrol-1-yl)-4-methoxyaniline.
What is the SMILES notation for 3-(2,5-dihydropyrrol-1-yl)-4-methoxyaniline?
The canonical SMILES for 3-(2,5-dihydropyrrol-1-yl)-4-methoxyaniline is COc1ccc(N)cc1N1CC=CC1.
What is the InChIKey of 3-(2,5-dihydropyrrol-1-yl)-4-methoxyaniline?
The InChIKey is DFWHKTDCQWUHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-14-11-5-4-9(12)8-10(11)13-6-2-3-7-13/h2-5,8H,6-7,12H2,1H3.
What are the key properties of 3-(2,5-dihydropyrrol-1-yl)-4-methoxyaniline?
3-(2,5-dihydropyrrol-1-yl)-4-methoxyaniline has a molecular weight of 190.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydropyrrol-1-yl)-4-methoxyaniline is sourced from PubChem (CID 79689324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).