5-(2,6-dimethoxyphenyl)-1H-pyrrol-3-amine

C12H14N2O2 — CID 96610158

IUPAC5-(2,6-dimethoxyphenyl)-1H-pyrrol-3-amine
SMILESCOc1cccc(OC)c1-c1cc(N)c[nH]1
InChIInChI=1S/C12H14N2O2/c1-15-10-4-3-5-11(16-2)12(10)9-6-8(13)7-14-9/h3-7,14H,13H2,1-2H3
InChIKeyHQIKJTWQJXUPGJ-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.28
Rot. Bonds3

About 5-(2,6-dimethoxyphenyl)-1H-pyrrol-3-amine

5-(2,6-dimethoxyphenyl)-1H-pyrrol-3-amine (PubChem CID 96610158) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-1H-pyrrol-3-amine.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-1H-pyrrol-3-amine
PubChem CID96610158
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name5-(2,6-dimethoxyphenyl)-1H-pyrrol-3-amine
SMILESCOc1cccc(OC)c1-c1cc(N)c[nH]1
InChIInChI=1S/C12H14N2O2/c1-15-10-4-3-5-11(16-2)12(10)9-6-8(13)7-14-9/h3-7,14H,13H2,1-2H3
InChIKeyHQIKJTWQJXUPGJ-UHFFFAOYSA-N
XLogP2.28
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2,6-dimethoxyphenyl)-1H-pyrrol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrrol-3-amine
CID 82387457
2,6-dimethoxyaniline;ethane
CID 145233133
5-(3-fluoro-2-methoxyphenyl)-1H-pyrrol-3-amine
CID 96617521
methanol;3-methoxybenzene-1,2-diamine
CID 174908169
6-(2,6-dimethoxyphenyl)pyridin-3-amine
CID 83918397
2-(2,4,6-trimethoxyphenyl)-1H-pyrrole
CID 135036019
5-methoxyacridin-4-amine
CID 11053298
2-methoxyaniline;dihydrochloride
CID 69020746
2-methoxy-6-prop-1-ynylaniline
CID 141410918
2-[2,6-dimethoxy-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole
CID 169050010
2-(2-methoxy-6-methylphenyl)pyrimidine
CID 166845053
2-(2,6-dimethoxyphenyl)-6-fluoroaniline
CID 107602899

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-1H-pyrrol-3-amine?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-1H-pyrrol-3-amine (CID 96610158) is 5-(2,6-dimethoxyphenyl)-1H-pyrrol-3-amine.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-1H-pyrrol-3-amine?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-1H-pyrrol-3-amine is COc1cccc(OC)c1-c1cc(N)c[nH]1.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-1H-pyrrol-3-amine?
The InChIKey is HQIKJTWQJXUPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-15-10-4-3-5-11(16-2)12(10)9-6-8(13)7-14-9/h3-7,14H,13H2,1-2H3.
What are the key properties of 5-(2,6-dimethoxyphenyl)-1H-pyrrol-3-amine?
5-(2,6-dimethoxyphenyl)-1H-pyrrol-3-amine has a molecular weight of 218.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-1H-pyrrol-3-amine is sourced from PubChem (CID 96610158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).