1-methyl-4-(3-methylphenyl)pyrrol-3-amine

C12H14N2 — CID 117223577

IUPAC1-methyl-4-(3-methylphenyl)pyrrol-3-amine
SMILESCc1cccc(-c2cn(C)cc2N)c1
InChIInChI=1S/C12H14N2/c1-9-4-3-5-10(6-9)11-7-14(2)8-12(11)13/h3-8H,13H2,1-2H3
InChIKeyALUBORQSNILDMF-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.58
Rot. Bonds1

About 1-methyl-4-(3-methylphenyl)pyrrol-3-amine

1-methyl-4-(3-methylphenyl)pyrrol-3-amine (PubChem CID 117223577) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-methyl-4-(3-methylphenyl)pyrrol-3-amine.

Molecular Properties

Compound Name1-methyl-4-(3-methylphenyl)pyrrol-3-amine
PubChem CID117223577
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-methyl-4-(3-methylphenyl)pyrrol-3-amine
SMILESCc1cccc(-c2cn(C)cc2N)c1
InChIInChI=1S/C12H14N2/c1-9-4-3-5-10(6-9)11-7-14(2)8-12(11)13/h3-8H,13H2,1-2H3
InChIKeyALUBORQSNILDMF-UHFFFAOYSA-N
XLogP2.58
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-4-(3-methylphenyl)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

2,5-dimethyl-3-(3-methylphenyl)aniline
CID 165494667
1-tert-butyl-3-(3-methylphenyl)pyrazol-4-amine
CID 83222373
1-ethyl-3-(3-methylphenyl)pyrazol-4-amine
CID 83216683
2-(3-methylphenyl)-6-phenylaniline
CID 150906011
2,4-difluoro-5-(3-methylphenyl)aniline
CID 164576434
1,2-dimethyl-4-(3-methylphenyl)pyrazol-3-one
CID 142106611
3-(3-methylphenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine
CID 83217849
2-bromo-1,3-bis(3-methylphenyl)benzene
CID 3691341
2-iodo-1,3-bis(3-methylphenyl)benzene
CID 170072024
2-methyl-4-(3-methylphenyl)-1H-diazete
CID 142472008
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
1-methyl-4-(3-methylphenyl)-3-pentan-3-ylpyrazol-5-amine
CID 62829768

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylphenyl)pyrrol-3-amine?
The IUPAC name of 1-methyl-4-(3-methylphenyl)pyrrol-3-amine (CID 117223577) is 1-methyl-4-(3-methylphenyl)pyrrol-3-amine.
What is the SMILES notation for 1-methyl-4-(3-methylphenyl)pyrrol-3-amine?
The canonical SMILES for 1-methyl-4-(3-methylphenyl)pyrrol-3-amine is Cc1cccc(-c2cn(C)cc2N)c1.
What is the InChIKey of 1-methyl-4-(3-methylphenyl)pyrrol-3-amine?
The InChIKey is ALUBORQSNILDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-4-3-5-10(6-9)11-7-14(2)8-12(11)13/h3-8H,13H2,1-2H3.
What are the key properties of 1-methyl-4-(3-methylphenyl)pyrrol-3-amine?
1-methyl-4-(3-methylphenyl)pyrrol-3-amine has a molecular weight of 186.26 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylphenyl)pyrrol-3-amine is sourced from PubChem (CID 117223577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).