N-[[3-(3-fluoro-4-methoxyphenyl)pyrazolidin-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)ethanamine

C24H28FN3O2 — CID 74558078

IUPACN-[[3-(3-fluoro-4-methoxyphenyl)pyrazolidin-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)ethanamine
SMILESCOc1ccc2cc(C(C)NCC3CNNC3c3ccc(OC)c(F)c3)ccc2c1
InChIInChI=1S/C24H28FN3O2/c1-15(16-4-5-18-11-21(29-2)8-6-17(18)10-16)26-13-20-14-27-28-24(20)19-7-9-23(30-3)22(25)12-19/h4-12,15,20,24,26-28H,13-14H2,1-3H3
InChIKeyUTBNCBSCFIDUMN-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.11
Rot. Bonds7

About N-[[3-(3-fluoro-4-methoxyphenyl)pyrazolidin-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)ethanamine

N-[[3-(3-fluoro-4-methoxyphenyl)pyrazolidin-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)ethanamine (PubChem CID 74558078) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[[3-(3-fluoro-4-methoxyphenyl)pyrazolidin-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[3-(3-fluoro-4-methoxyphenyl)pyrazolidin-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)ethanamine
PubChem CID74558078
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC NameN-[[3-(3-fluoro-4-methoxyphenyl)pyrazolidin-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)ethanamine
SMILESCOc1ccc2cc(C(C)NCC3CNNC3c3ccc(OC)c(F)c3)ccc2c1
InChIInChI=1S/C24H28FN3O2/c1-15(16-4-5-18-11-21(29-2)8-6-17(18)10-16)26-13-20-14-27-28-24(20)19-7-9-23(30-3)22(25)12-19/h4-12,15,20,24,26-28H,13-14H2,1-3H3
InChIKeyUTBNCBSCFIDUMN-UHFFFAOYSA-N
XLogP4.11
TPSA54.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 23154308
N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 113348517
N-ethyl-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 24708514
1-(6-methoxynaphthalen-2-yl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107166080
methyl N-[1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methylamino]-1-oxopropan-2-yl]carbamate
CID 133267278
N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine
CID 52975548
N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine
CID 43190378
1-(4-methoxyphenyl)-N-[[3-(3-methoxyphenyl)pyrazolidin-4-yl]methyl]cyclopropan-1-amine
CID 73304912
2-methoxy-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]ethanamine
CID 75266717
1-(6-methoxynaphthalen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63982854
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60697208

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluoro-4-methoxyphenyl)pyrazolidin-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)ethanamine?
The IUPAC name of N-[[3-(3-fluoro-4-methoxyphenyl)pyrazolidin-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)ethanamine (CID 74558078) is N-[[3-(3-fluoro-4-methoxyphenyl)pyrazolidin-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)ethanamine.
What is the SMILES notation for N-[[3-(3-fluoro-4-methoxyphenyl)pyrazolidin-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)ethanamine?
The canonical SMILES for N-[[3-(3-fluoro-4-methoxyphenyl)pyrazolidin-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)ethanamine is COc1ccc2cc(C(C)NCC3CNNC3c3ccc(OC)c(F)c3)ccc2c1.
What is the InChIKey of N-[[3-(3-fluoro-4-methoxyphenyl)pyrazolidin-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)ethanamine?
The InChIKey is UTBNCBSCFIDUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-15(16-4-5-18-11-21(29-2)8-6-17(18)10-16)26-13-20-14-27-28-24(20)19-7-9-23(30-3)22(25)12-19/h4-12,15,20,24,26-28H,13-14H2,1-3H3.
What are the key properties of N-[[3-(3-fluoro-4-methoxyphenyl)pyrazolidin-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)ethanamine?
N-[[3-(3-fluoro-4-methoxyphenyl)pyrazolidin-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)ethanamine has a molecular weight of 409.51 g/mol, XLogP of 4.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluoro-4-methoxyphenyl)pyrazolidin-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)ethanamine is sourced from PubChem (CID 74558078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).