1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]methanamine

C21H25N3O3 — CID 52989802

IUPAC1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNCC2CNNC2c2cc3ccccc3o2)cc1OC
InChIInChI=1S/C21H25N3O3/c1-25-18-8-7-14(9-19(18)26-2)11-22-12-16-13-23-24-21(16)20-10-15-5-3-4-6-17(15)27-20/h3-10,16,21-24H,11-13H2,1-2H3
InChIKeyMJPTYMTXYWDARG-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.00
Rot. Bonds7

About 1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]methanamine

1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]methanamine (PubChem CID 52989802) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]methanamine
PubChem CID52989802
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNCC2CNNC2c2cc3ccccc3o2)cc1OC
InChIInChI=1S/C21H25N3O3/c1-25-18-8-7-14(9-19(18)26-2)11-22-12-16-13-23-24-21(16)20-10-15-5-3-4-6-17(15)27-20/h3-10,16,21-24H,11-13H2,1-2H3
InChIKeyMJPTYMTXYWDARG-UHFFFAOYSA-N
XLogP3.00
TPSA67.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]methanamine with MolForge

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Related Compounds

1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
1-(3,4-dihydro-1H-isochromen-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]methanamine;hydrochloride
CID 2982530
N-[(3,4-dimethoxyphenyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methanamine
CID 154761599
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-phenylpyrazolidin-4-yl)methanamine
CID 78356817
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 42934544
N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 43403643
4-[[(4-methoxy-3-phenylmethoxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962110
2-methoxy-N-[(3-phenylpyrazolidin-4-yl)methyl]ethanamine
CID 75266458
1-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]methanamine
CID 52989806
5-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-2-one
CID 60727440
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 124892212

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]methanamine (CID 52989802) is 1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]methanamine is COc1ccc(CNCC2CNNC2c2cc3ccccc3o2)cc1OC.
What is the InChIKey of 1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]methanamine?
The InChIKey is MJPTYMTXYWDARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-25-18-8-7-14(9-19(18)26-2)11-22-12-16-13-23-24-21(16)20-10-15-5-3-4-6-17(15)27-20/h3-10,16,21-24H,11-13H2,1-2H3.
What are the key properties of 1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]methanamine?
1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]methanamine has a molecular weight of 367.45 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 52989802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).