3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine

C17H24N2 — CID 66411689

IUPAC3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
SMILESCCCn1cccc1CNCCCc1ccccc1
InChIInChI=1S/C17H24N2/c1-2-13-19-14-7-11-17(19)15-18-12-6-10-16-8-4-3-5-9-16/h3-5,7-9,11,14,18H,2,6,10,12-13,15H2,1H3
InChIKeyFHNUWBIFEGISOG-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.62
Rot. Bonds8

About 3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine

3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine (PubChem CID 66411689) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
PubChem CID66411689
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
SMILESCCCn1cccc1CNCCCc1ccccc1
InChIInChI=1S/C17H24N2/c1-2-13-19-14-7-11-17(19)15-18-12-6-10-16-8-4-3-5-9-16/h3-5,7-9,11,14,18H,2,6,10,12-13,15H2,1H3
InChIKeyFHNUWBIFEGISOG-UHFFFAOYSA-N
XLogP3.62
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.62
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

2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66412851
N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine
CID 66411473
N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpropan-1-amine
CID 46398450
N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine
CID 66402346
N'-methyl-N'-propan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]propane-1,3-diamine
CID 114139714
4-pentyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66413662
1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
CID 66413651
2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66411574
4-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]butan-1-amine
CID 66443821
3-[2-(propylaminomethyl)pyrrol-1-yl]propan-1-ol
CID 66401970
2-methyl-N-[[1-(4-phenylbutyl)pyrrol-2-yl]methyl]propan-2-amine
CID 114334303
2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol
CID 66413467

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine (CID 66411689) is 3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine is CCCn1cccc1CNCCCc1ccccc1.
What is the InChIKey of 3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine?
The InChIKey is FHNUWBIFEGISOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-2-13-19-14-7-11-17(19)15-18-12-6-10-16-8-4-3-5-9-16/h3-5,7-9,11,14,18H,2,6,10,12-13,15H2,1H3.
What are the key properties of 3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine?
3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 66411689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).