3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylpropan-1-amine

C16H22N2 — CID 141002977

IUPAC3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylpropan-1-amine
SMILESCc1ccc(C)n1-c1ccc(CC(C)CN)cc1
InChIInChI=1S/C16H22N2/c1-12(11-17)10-15-6-8-16(9-7-15)18-13(2)4-5-14(18)3/h4-9,12H,10-11,17H2,1-3H3
InChIKeyLMOZZLWJAMWFRH-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.23
Rot. Bonds4

About 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylpropan-1-amine

3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylpropan-1-amine (PubChem CID 141002977) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylpropan-1-amine
PubChem CID141002977
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylpropan-1-amine
SMILESCc1ccc(C)n1-c1ccc(CC(C)CN)cc1
InChIInChI=1S/C16H22N2/c1-12(11-17)10-15-6-8-16(9-7-15)18-13(2)4-5-14(18)3/h4-9,12H,10-11,17H2,1-3H3
InChIKeyLMOZZLWJAMWFRH-UHFFFAOYSA-N
XLogP3.23
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylpropan-1-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

3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylpropanoic acid
CID 82514060
(2R)-3-(4-bromophenyl)-2-methylpropan-1-amine
CID 94460671
3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propan-1-amine
CID 82473964
2-methyl-3-phenylpropan-1-amine
CID 12672558
4-(3-amino-2-methylpropyl)phenol;ethane
CID 170743294
ethane;2-methyl-3-phenylpropan-1-amine
CID 90796605
(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 42079600
2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine
CID 116924750
3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 83818376
(2R)-2-methyl-3-(4-nitrophenyl)propan-1-amine
CID 97000933
2-methyl-3-(4-nitrophenyl)propan-1-amine
CID 83637269
2-methyl-3-(4-phenylsulfanylphenyl)propan-1-amine
CID 20573338

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylpropan-1-amine?
The IUPAC name of 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylpropan-1-amine (CID 141002977) is 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylpropan-1-amine is Cc1ccc(C)n1-c1ccc(CC(C)CN)cc1.
What is the InChIKey of 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylpropan-1-amine?
The InChIKey is LMOZZLWJAMWFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12(11-17)10-15-6-8-16(9-7-15)18-13(2)4-5-14(18)3/h4-9,12H,10-11,17H2,1-3H3.
What are the key properties of 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylpropan-1-amine?
3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylpropan-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylpropan-1-amine is sourced from PubChem (CID 141002977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).