N,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine

C17H28FN3 — CID 63170648

IUPACN,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2cccc(F)c2C(C)NC)C1
InChIInChI=1S/C17H28FN3/c1-5-20(6-2)14-10-11-21(12-14)16-9-7-8-15(18)17(16)13(3)19-4/h7-9,13-14,19H,5-6,10-12H2,1-4H3
InChIKeyUQXGCNJXIXLVNS-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.03
Rot. Bonds6

About N,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine

N,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine (PubChem CID 63170648) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is N,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine
PubChem CID63170648
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC NameN,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2cccc(F)c2C(C)NC)C1
InChIInChI=1S/C17H28FN3/c1-5-20(6-2)14-10-11-21(12-14)16-9-7-8-15(18)17(16)13(3)19-4/h7-9,13-14,19H,5-6,10-12H2,1-4H3
InChIKeyUQXGCNJXIXLVNS-UHFFFAOYSA-N
XLogP3.03
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine (CID 63170648) is N,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine is CCN(CC)C1CCN(c2cccc(F)c2C(C)NC)C1.
What is the InChIKey of N,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine?
The InChIKey is UQXGCNJXIXLVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-5-20(6-2)14-10-11-21(12-14)16-9-7-8-15(18)17(16)13(3)19-4/h7-9,13-14,19H,5-6,10-12H2,1-4H3.
What are the key properties of N,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine?
N,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine has a molecular weight of 293.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 63170648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).