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

C14H23N3O2 — CID 75266717

IUPAC2-methoxy-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]ethanamine
SMILESCOCCNCC1CNNC1c1ccc(OC)cc1
InChIInChI=1S/C14H23N3O2/c1-18-8-7-15-9-12-10-16-17-14(12)11-3-5-13(19-2)6-4-11/h3-6,12,14-17H,7-10H2,1-2H3
InChIKeyDSSLSSFGVMCAKF-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.70
Rot. Bonds7

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

2-methoxy-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]ethanamine (PubChem CID 75266717) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]ethanamine
PubChem CID75266717
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-methoxy-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]ethanamine
SMILESCOCCNCC1CNNC1c1ccc(OC)cc1
InChIInChI=1S/C14H23N3O2/c1-18-8-7-15-9-12-10-16-17-14(12)11-3-5-13(19-2)6-4-11/h3-6,12,14-17H,7-10H2,1-2H3
InChIKeyDSSLSSFGVMCAKF-UHFFFAOYSA-N
XLogP0.70
TPSA54.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine
CID 52975548
2-methoxy-N-[(3-phenylpyrazolidin-4-yl)methyl]ethanamine
CID 75266458
N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-propoxyethanamine
CID 75257296
1-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]methanamine
CID 52989806
2-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethoxy]ethanol
CID 52975595
methyl N-[1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methylamino]-1-oxopropan-2-yl]carbamate
CID 133267278
1-ethyl-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidin-3-amine
CID 75268969
3-(2-methylpropoxy)-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine
CID 76873711
N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 65101607
1-(4-methoxyphenyl)-N-[[3-(3-methoxyphenyl)pyrazolidin-4-yl]methyl]cyclopropan-1-amine
CID 73304912
N-[[3-(3-fluoro-4-methoxyphenyl)pyrazolidin-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 74558078
2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62713194

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]ethanamine (CID 75266717) is 2-methoxy-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]ethanamine is COCCNCC1CNNC1c1ccc(OC)cc1.
What is the InChIKey of 2-methoxy-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]ethanamine?
The InChIKey is DSSLSSFGVMCAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-18-8-7-15-9-12-10-16-17-14(12)11-3-5-13(19-2)6-4-11/h3-6,12,14-17H,7-10H2,1-2H3.
What are the key properties of 2-methoxy-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]ethanamine?
2-methoxy-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 75266717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).