N-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]pyridin-3-amine

C20H26FN3O — CID 162430318

IUPACN-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]pyridin-3-amine
SMILESCCOCC1(CCc2ccc(F)cc2)CCN(Nc2cccnc2)C1
InChIInChI=1S/C20H26FN3O/c1-2-25-16-20(10-9-17-5-7-18(21)8-6-17)11-13-24(15-20)23-19-4-3-12-22-14-19/h3-8,12,14,23H,2,9-11,13,15-16H2,1H3
InChIKeyKDXUJDRSVRXOBR-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.91
Rot. Bonds8

About N-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]pyridin-3-amine

N-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]pyridin-3-amine (PubChem CID 162430318) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]pyridin-3-amine
PubChem CID162430318
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC NameN-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]pyridin-3-amine
SMILESCCOCC1(CCc2ccc(F)cc2)CCN(Nc2cccnc2)C1
InChIInChI=1S/C20H26FN3O/c1-2-25-16-20(10-9-17-5-7-18(21)8-6-17)11-13-24(15-20)23-19-4-3-12-22-14-19/h3-8,12,14,23H,2,9-11,13,15-16H2,1H3
InChIKeyKDXUJDRSVRXOBR-UHFFFAOYSA-N
XLogP3.91
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]pyridin-3-amine?
The IUPAC name of N-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]pyridin-3-amine (CID 162430318) is N-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]pyridin-3-amine.
What is the SMILES notation for N-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]pyridin-3-amine?
The canonical SMILES for N-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]pyridin-3-amine is CCOCC1(CCc2ccc(F)cc2)CCN(Nc2cccnc2)C1.
What is the InChIKey of N-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]pyridin-3-amine?
The InChIKey is KDXUJDRSVRXOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-2-25-16-20(10-9-17-5-7-18(21)8-6-17)11-13-24(15-20)23-19-4-3-12-22-14-19/h3-8,12,14,23H,2,9-11,13,15-16H2,1H3.
What are the key properties of N-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]pyridin-3-amine?
N-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]pyridin-3-amine has a molecular weight of 343.45 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]pyridin-3-amine is sourced from PubChem (CID 162430318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).