N-ethyl-1-[4-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine

C16H25FN2O — CID 63065873

IUPACN-ethyl-1-[4-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(F)cc1OCCN1CCCC1
InChIInChI=1S/C16H25FN2O/c1-3-18-13(2)15-7-6-14(17)12-16(15)20-11-10-19-8-4-5-9-19/h6-7,12-13,18H,3-5,8-11H2,1-2H3
InChIKeyRLEWECYITODXLV-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.97
Rot. Bonds7

About N-ethyl-1-[4-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine

N-ethyl-1-[4-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine (PubChem CID 63065873) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-ethyl-1-[4-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
PubChem CID63065873
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-ethyl-1-[4-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(F)cc1OCCN1CCCC1
InChIInChI=1S/C16H25FN2O/c1-3-18-13(2)15-7-6-14(17)12-16(15)20-11-10-19-8-4-5-9-19/h6-7,12-13,18H,3-5,8-11H2,1-2H3
InChIKeyRLEWECYITODXLV-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]ethyl]imidazolidin-2-one
CID 63066571
N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine
CID 63065689
1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine
CID 55180092
N-ethyl-1-[4-methyl-2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 63640833
N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine
CID 63066393
1-[4-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 63068202
N-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
CID 63066226
N-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 107696192
N-ethyl-1-[4-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79164229
methyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate
CID 63066050
4-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline
CID 62376118
1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine
CID 63487243

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine (CID 63065873) is N-ethyl-1-[4-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine is CCNC(C)c1ccc(F)cc1OCCN1CCCC1.
What is the InChIKey of N-ethyl-1-[4-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine?
The InChIKey is RLEWECYITODXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-18-13(2)15-7-6-14(17)12-16(15)20-11-10-19-8-4-5-9-19/h6-7,12-13,18H,3-5,8-11H2,1-2H3.
What are the key properties of N-ethyl-1-[4-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine?
N-ethyl-1-[4-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine has a molecular weight of 280.39 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 63065873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).