N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine

C19H24FN3O2 — CID 52975548

IUPACN-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine
SMILESCOc1ccc(OCCNCC2CNNC2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H24FN3O2/c1-24-17-6-8-18(9-7-17)25-11-10-21-12-15-13-22-23-19(15)14-2-4-16(20)5-3-14/h2-9,15,19,21-23H,10-13H2,1H3
InChIKeyCLEOOYGSXROKDD-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.27
Rot. Bonds8

About N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine

N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine (PubChem CID 52975548) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine
PubChem CID52975548
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC NameN-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine
SMILESCOc1ccc(OCCNCC2CNNC2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H24FN3O2/c1-24-17-6-8-18(9-7-17)25-11-10-21-12-15-13-22-23-19(15)14-2-4-16(20)5-3-14/h2-9,15,19,21-23H,10-13H2,1H3
InChIKeyCLEOOYGSXROKDD-UHFFFAOYSA-N
XLogP2.27
TPSA54.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.27
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

2-methoxy-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]ethanamine
CID 75266717
2-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethoxy]ethanol
CID 52975595
2-methoxy-N-[(3-phenylpyrazolidin-4-yl)methyl]ethanamine
CID 75266458
N-[(3-fluorophenyl)methyl]-1-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanamine;hydrochloride
CID 52986379
1-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]methanamine
CID 52989806
1-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethyl]-4,6-dimethylpyrimidin-2-one
CID 75257347
1-ethyl-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidin-3-amine
CID 75268969
methyl N-[1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methylamino]-1-oxopropan-2-yl]carbamate
CID 133267278
3-(2-methylpropoxy)-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine
CID 76873711
N-[[3-(3-fluoro-4-methoxyphenyl)pyrazolidin-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 74558078
5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one
CID 60727737
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine?
The IUPAC name of N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine (CID 52975548) is N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine.
What is the SMILES notation for N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine?
The canonical SMILES for N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine is COc1ccc(OCCNCC2CNNC2c2ccc(F)cc2)cc1.
What is the InChIKey of N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine?
The InChIKey is CLEOOYGSXROKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-24-17-6-8-18(9-7-17)25-11-10-21-12-15-13-22-23-19(15)14-2-4-16(20)5-3-14/h2-9,15,19,21-23H,10-13H2,1H3.
What are the key properties of N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine?
N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine has a molecular weight of 345.42 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine is sourced from PubChem (CID 52975548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).