N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine

C14H21FN2 — CID 43283921

IUPACN-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
SMILESCCNC(C)c1cc(F)ccc1N1CCCC1
InChIInChI=1S/C14H21FN2/c1-3-16-11(2)13-10-12(15)6-7-14(13)17-8-4-5-9-17/h6-7,10-11,16H,3-5,8-9H2,1-2H3
InChIKeyFARKKYRXLJOAOY-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.10
Rot. Bonds4

About N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine

N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine (PubChem CID 43283921) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
PubChem CID43283921
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
SMILESCCNC(C)c1cc(F)ccc1N1CCCC1
InChIInChI=1S/C14H21FN2/c1-3-16-11(2)13-10-12(15)6-7-14(13)17-8-4-5-9-17/h6-7,10-11,16H,3-5,8-9H2,1-2H3
InChIKeyFARKKYRXLJOAOY-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]-N-ethylethanamine
CID 43581580
4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]-1-methylpiperazin-2-one
CID 64693858
N-[1-[5-fluoro-2-(1,4-oxazepan-4-yl)phenyl]ethyl]propan-1-amine
CID 62974863
[1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol
CID 112625992
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43188715
1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylethanamine
CID 63534160
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine
CID 119122933
4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]morpholine-2-carbonitrile
CID 79674360
N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine
CID 43286078
1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine
CID 82972475
1-[5-bromo-2-(4-methylazepan-1-yl)phenyl]-N-ethylethanamine
CID 82968313
N-ethyl-1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 43284796

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine (CID 43283921) is N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine is CCNC(C)c1cc(F)ccc1N1CCCC1.
What is the InChIKey of N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine?
The InChIKey is FARKKYRXLJOAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-3-16-11(2)13-10-12(15)6-7-14(13)17-8-4-5-9-17/h6-7,10-11,16H,3-5,8-9H2,1-2H3.
What are the key properties of N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine?
N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine has a molecular weight of 236.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine is sourced from PubChem (CID 43283921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).