2-methoxy-N-[(3-phenylpyrazolidin-4-yl)methyl]ethanamine

C13H21N3O — CID 75266458

IUPAC2-methoxy-N-[(3-phenylpyrazolidin-4-yl)methyl]ethanamine
SMILESCOCCNCC1CNNC1c1ccccc1
InChIInChI=1S/C13H21N3O/c1-17-8-7-14-9-12-10-15-16-13(12)11-5-3-2-4-6-11/h2-6,12-16H,7-10H2,1H3
InChIKeyIVOMKXZZSAKPQG-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.69
Rot. Bonds6

About 2-methoxy-N-[(3-phenylpyrazolidin-4-yl)methyl]ethanamine

2-methoxy-N-[(3-phenylpyrazolidin-4-yl)methyl]ethanamine (PubChem CID 75266458) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methoxy-N-[(3-phenylpyrazolidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(3-phenylpyrazolidin-4-yl)methyl]ethanamine
PubChem CID75266458
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-methoxy-N-[(3-phenylpyrazolidin-4-yl)methyl]ethanamine
SMILESCOCCNCC1CNNC1c1ccccc1
InChIInChI=1S/C13H21N3O/c1-17-8-7-14-9-12-10-15-16-13(12)11-5-3-2-4-6-11/h2-6,12-16H,7-10H2,1H3
InChIKeyIVOMKXZZSAKPQG-UHFFFAOYSA-N
XLogP0.69
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]ethanamine
CID 75266717
3-(2-methylpropoxy)-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine
CID 76873711
N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine
CID 52975548
2-[(3-phenylpyrazolidin-4-yl)methylamino]acetamide
CID 78339992
2-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethoxy]ethanol
CID 52975595
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-phenylpyrazolidin-4-yl)methanamine
CID 78356817
N-[[3-(4-phenylphenyl)pyrazolidin-4-yl]methyl]-2-pyridin-4-ylethanamine
CID 74414644
N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-1-(5-phenylpyrazolidin-3-yl)methanamine
CID 74809884
2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62714428
N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 65101607
1-[3-(4-chlorophenyl)pyrazolidin-4-yl]-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 52990447
1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 52989802

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-phenylpyrazolidin-4-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(3-phenylpyrazolidin-4-yl)methyl]ethanamine (CID 75266458) is 2-methoxy-N-[(3-phenylpyrazolidin-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(3-phenylpyrazolidin-4-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(3-phenylpyrazolidin-4-yl)methyl]ethanamine is COCCNCC1CNNC1c1ccccc1.
What is the InChIKey of 2-methoxy-N-[(3-phenylpyrazolidin-4-yl)methyl]ethanamine?
The InChIKey is IVOMKXZZSAKPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-17-8-7-14-9-12-10-15-16-13(12)11-5-3-2-4-6-11/h2-6,12-16H,7-10H2,1H3.
What are the key properties of 2-methoxy-N-[(3-phenylpyrazolidin-4-yl)methyl]ethanamine?
2-methoxy-N-[(3-phenylpyrazolidin-4-yl)methyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-phenylpyrazolidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 75266458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).