2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine

C16H22N2 — CID 66412851

IUPAC2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
SMILESCCCn1cccc1CNCCc1ccccc1
InChIInChI=1S/C16H22N2/c1-2-12-18-13-6-9-16(18)14-17-11-10-15-7-4-3-5-8-15/h3-9,13,17H,2,10-12,14H2,1H3
InChIKeyZSJIAKFVIXGARV-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.23
Rot. Bonds7

About 2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine

2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine (PubChem CID 66412851) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
PubChem CID66412851
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
SMILESCCCn1cccc1CNCCc1ccccc1
InChIInChI=1S/C16H22N2/c1-2-12-18-13-6-9-16(18)14-17-11-10-15-7-4-3-5-8-15/h3-9,13,17H,2,10-12,14H2,1H3
InChIKeyZSJIAKFVIXGARV-UHFFFAOYSA-N
XLogP3.23
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
CID 66411689
N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine
CID 66402346
N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine
CID 66411473
2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66411574
N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
CID 66413651
N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 66411498
2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol
CID 66413467
N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpropan-1-amine
CID 46398450
2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 115405916
3-[2-(propylaminomethyl)pyrrol-1-yl]propan-1-ol
CID 66401970
2-methyl-N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66401243

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine?
The IUPAC name of 2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine (CID 66412851) is 2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine is CCCn1cccc1CNCCc1ccccc1.
What is the InChIKey of 2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine?
The InChIKey is ZSJIAKFVIXGARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-12-18-13-6-9-16(18)14-17-11-10-15-7-4-3-5-8-15/h3-9,13,17H,2,10-12,14H2,1H3.
What are the key properties of 2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine?
2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine has a molecular weight of 242.37 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine is sourced from PubChem (CID 66412851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).