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

C15H20N2 — CID 82473964

IUPAC3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propan-1-amine
SMILESCc1ccc(C)n1-c1ccc(CCCN)cc1
InChIInChI=1S/C15H20N2/c1-12-5-6-13(2)17(12)15-9-7-14(8-10-15)4-3-11-16/h5-10H,3-4,11,16H2,1-2H3
InChIKeyHVEUZDURLWUMPK-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.99
Rot. Bonds4

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

3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propan-1-amine (PubChem CID 82473964) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propan-1-amine
PubChem CID82473964
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propan-1-amine
SMILESCc1ccc(C)n1-c1ccc(CCCN)cc1
InChIInChI=1S/C15H20N2/c1-12-5-6-13(2)17(12)15-9-7-14(8-10-15)4-3-11-16/h5-10H,3-4,11,16H2,1-2H3
InChIKeyHVEUZDURLWUMPK-UHFFFAOYSA-N
XLogP2.99
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-N,N-dimethylpropan-1-amine
CID 170865824
4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
ethyl 5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]pentanoate
CID 19905466
3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylpropan-1-amine
CID 141002977
4-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]methyl]pyridine
CID 804638
3-[4-(azepan-1-yl)phenyl]propan-1-amine
CID 28806979
6-(4-propylphenyl)hexan-1-amine
CID 65300510
1-[4-(3-aminopropyl)phenyl]-4-methylpiperazine-2,5-dione
CID 117407658
4-(3-aminopropyl)phenol
CID 4574248
[4-(4-aminobutyl)phenyl]methanol
CID 11550093
1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propan-2-one
CID 146002630

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propan-1-amine?
The IUPAC name of 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propan-1-amine (CID 82473964) is 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propan-1-amine?
The canonical SMILES for 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propan-1-amine is Cc1ccc(C)n1-c1ccc(CCCN)cc1.
What is the InChIKey of 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propan-1-amine?
The InChIKey is HVEUZDURLWUMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12-5-6-13(2)17(12)15-9-7-14(8-10-15)4-3-11-16/h5-10H,3-4,11,16H2,1-2H3.
What are the key properties of 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propan-1-amine?
3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propan-1-amine has a molecular weight of 228.34 g/mol, XLogP of 2.99, 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]propan-1-amine is sourced from PubChem (CID 82473964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).