N,N-dimethyl-3-(2-methyl-5-phenylpyrrol-1-yl)propan-1-amine

C16H22N2 — CID 3025247

IUPACN,N-dimethyl-3-(2-methyl-5-phenylpyrrol-1-yl)propan-1-amine
SMILESCc1ccc(-c2ccccc2)n1CCCN(C)C
InChIInChI=1S/C16H22N2/c1-14-10-11-16(15-8-5-4-6-9-15)18(14)13-7-12-17(2)3/h4-6,8-11H,7,12-13H2,1-3H3
InChIKeyURQXMMCZFBGELG-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.42
Rot. Bonds5

About N,N-dimethyl-3-(2-methyl-5-phenylpyrrol-1-yl)propan-1-amine

N,N-dimethyl-3-(2-methyl-5-phenylpyrrol-1-yl)propan-1-amine (PubChem CID 3025247) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-methyl-5-phenylpyrrol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-methyl-5-phenylpyrrol-1-yl)propan-1-amine
PubChem CID3025247
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN,N-dimethyl-3-(2-methyl-5-phenylpyrrol-1-yl)propan-1-amine
SMILESCc1ccc(-c2ccccc2)n1CCCN(C)C
InChIInChI=1S/C16H22N2/c1-14-10-11-16(15-8-5-4-6-9-15)18(14)13-7-12-17(2)3/h4-6,8-11H,7,12-13H2,1-3H3
InChIKeyURQXMMCZFBGELG-UHFFFAOYSA-N
XLogP3.42
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-methyl-5-phenylpyrrol-1-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(2-methyl-5-phenylpyrrol-1-yl)propan-1-amine (CID 3025247) is N,N-dimethyl-3-(2-methyl-5-phenylpyrrol-1-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(2-methyl-5-phenylpyrrol-1-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(2-methyl-5-phenylpyrrol-1-yl)propan-1-amine is Cc1ccc(-c2ccccc2)n1CCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-(2-methyl-5-phenylpyrrol-1-yl)propan-1-amine?
The InChIKey is URQXMMCZFBGELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-14-10-11-16(15-8-5-4-6-9-15)18(14)13-7-12-17(2)3/h4-6,8-11H,7,12-13H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(2-methyl-5-phenylpyrrol-1-yl)propan-1-amine?
N,N-dimethyl-3-(2-methyl-5-phenylpyrrol-1-yl)propan-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-methyl-5-phenylpyrrol-1-yl)propan-1-amine is sourced from PubChem (CID 3025247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).