3-methoxy-N-[(1-phenylpyrrol-2-yl)methyl]propan-1-amine

C15H20N2O — CID 50850472

IUPAC3-methoxy-N-[(1-phenylpyrrol-2-yl)methyl]propan-1-amine
SMILESCOCCCNCc1cccn1-c1ccccc1
InChIInChI=1S/C15H20N2O/c1-18-12-6-10-16-13-15-9-5-11-17(15)14-7-3-2-4-8-14/h2-5,7-9,11,16H,6,10,12-13H2,1H3
InChIKeyISVPBGPDOBEJIR-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.60
Rot. Bonds7

About 3-methoxy-N-[(1-phenylpyrrol-2-yl)methyl]propan-1-amine

3-methoxy-N-[(1-phenylpyrrol-2-yl)methyl]propan-1-amine (PubChem CID 50850472) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-methoxy-N-[(1-phenylpyrrol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(1-phenylpyrrol-2-yl)methyl]propan-1-amine
PubChem CID50850472
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-methoxy-N-[(1-phenylpyrrol-2-yl)methyl]propan-1-amine
SMILESCOCCCNCc1cccn1-c1ccccc1
InChIInChI=1S/C15H20N2O/c1-18-12-6-10-16-13-15-9-5-11-17(15)14-7-3-2-4-8-14/h2-5,7-9,11,16H,6,10,12-13H2,1H3
InChIKeyISVPBGPDOBEJIR-UHFFFAOYSA-N
XLogP2.60
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[(1-methyl-5-propylpyrrol-2-yl)methyl]propan-1-amine
CID 100792391
N-[(1-phenylpyrrol-2-yl)methyl]propan-2-amine
CID 46784890
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-methoxypropan-1-amine
CID 43090159
N-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]butan-1-amine
CID 3901325
N-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]-2-phenylethanamine
CID 5030277
2-methoxy-N-[[1-(phenylmethoxymethyl)pyrrol-2-yl]methyl]ethanamine
CID 102940113
N-[(1-ethylpyrrol-2-yl)methyl]-3-phenoxypropan-1-amine
CID 66444605
N'-benzyl-N-(3-methoxypropyl)ethane-1,2-diamine;carbanide;methoxymethane;uranium(2+)
CID 169243785
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385
N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine
CID 103181721
N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine
CID 66402534
3-methoxy-N-[[1-(1-phenylethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 133202835

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1-phenylpyrrol-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[(1-phenylpyrrol-2-yl)methyl]propan-1-amine (CID 50850472) is 3-methoxy-N-[(1-phenylpyrrol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(1-phenylpyrrol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[(1-phenylpyrrol-2-yl)methyl]propan-1-amine is COCCCNCc1cccn1-c1ccccc1.
What is the InChIKey of 3-methoxy-N-[(1-phenylpyrrol-2-yl)methyl]propan-1-amine?
The InChIKey is ISVPBGPDOBEJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-18-12-6-10-16-13-15-9-5-11-17(15)14-7-3-2-4-8-14/h2-5,7-9,11,16H,6,10,12-13H2,1H3.
What are the key properties of 3-methoxy-N-[(1-phenylpyrrol-2-yl)methyl]propan-1-amine?
3-methoxy-N-[(1-phenylpyrrol-2-yl)methyl]propan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1-phenylpyrrol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 50850472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).