(1,2-dimethyl-5-phenylpyrrol-3-yl)methanamine

C13H16N2 — CID 82506137

IUPAC(1,2-dimethyl-5-phenylpyrrol-3-yl)methanamine
SMILESCc1c(CN)cc(-c2ccccc2)n1C
InChIInChI=1S/C13H16N2/c1-10-12(9-14)8-13(15(10)2)11-6-4-3-5-7-11/h3-8H,9,14H2,1-2H3
InChIKeyGUEWJXWAYDVXIL-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.46
Rot. Bonds2

About (1,2-dimethyl-5-phenylpyrrol-3-yl)methanamine

(1,2-dimethyl-5-phenylpyrrol-3-yl)methanamine (PubChem CID 82506137) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (1,2-dimethyl-5-phenylpyrrol-3-yl)methanamine.

Molecular Properties

Compound Name(1,2-dimethyl-5-phenylpyrrol-3-yl)methanamine
PubChem CID82506137
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name(1,2-dimethyl-5-phenylpyrrol-3-yl)methanamine
SMILESCc1c(CN)cc(-c2ccccc2)n1C
InChIInChI=1S/C13H16N2/c1-10-12(9-14)8-13(15(10)2)11-6-4-3-5-7-11/h3-8H,9,14H2,1-2H3
InChIKeyGUEWJXWAYDVXIL-UHFFFAOYSA-N
XLogP2.46
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1,2-dimethyl-5-phenylpyrrol-3-yl)methanamine 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-chlorophenyl)-1,2-dimethylpyrrol-3-yl]methanol
CID 116828847
3-(benzenesulfonyl)-1,2-dimethyl-5-phenylpyrrole
CID 14006844
4-(aminomethyl)-1,5-dimethylpyrrole-2-carbonitrile
CID 115685826
sodium;1,2-dimethyl-4-oxo-6-phenylpyridine-3-carboxylic acid;hydride
CID 173391931
2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione
CID 139056191
benzene;1-methyl-2-phenylindole
CID 158316839
(1,2-dimethyl-5-phenylpyrrol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 53016708
ethane;(2-phenylphenyl)methanamine
CID 142592948
1-(2-hydroxyethyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid
CID 82085719
3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine
CID 105469039
2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3860213
(6-methyl-4-phenyl-3-pyridinyl)methanamine
CID 90247119

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethyl-5-phenylpyrrol-3-yl)methanamine?
The IUPAC name of (1,2-dimethyl-5-phenylpyrrol-3-yl)methanamine (CID 82506137) is (1,2-dimethyl-5-phenylpyrrol-3-yl)methanamine.
What is the SMILES notation for (1,2-dimethyl-5-phenylpyrrol-3-yl)methanamine?
The canonical SMILES for (1,2-dimethyl-5-phenylpyrrol-3-yl)methanamine is Cc1c(CN)cc(-c2ccccc2)n1C.
What is the InChIKey of (1,2-dimethyl-5-phenylpyrrol-3-yl)methanamine?
The InChIKey is GUEWJXWAYDVXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10-12(9-14)8-13(15(10)2)11-6-4-3-5-7-11/h3-8H,9,14H2,1-2H3.
What are the key properties of (1,2-dimethyl-5-phenylpyrrol-3-yl)methanamine?
(1,2-dimethyl-5-phenylpyrrol-3-yl)methanamine has a molecular weight of 200.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethyl-5-phenylpyrrol-3-yl)methanamine is sourced from PubChem (CID 82506137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).