[1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol

C15H23FN2O — CID 112625992

IUPAC[1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol
SMILESCCNC(C)c1cc(F)ccc1N1CCC(CO)C1
InChIInChI=1S/C15H23FN2O/c1-3-17-11(2)14-8-13(16)4-5-15(14)18-7-6-12(9-18)10-19/h4-5,8,11-12,17,19H,3,6-7,9-10H2,1-2H3
InChIKeyDCMOJTODZVAULK-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.31
Rot. Bonds5

About [1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol

[1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol (PubChem CID 112625992) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is [1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol
PubChem CID112625992
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name[1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol
SMILESCCNC(C)c1cc(F)ccc1N1CCC(CO)C1
InChIInChI=1S/C15H23FN2O/c1-3-17-11(2)14-8-13(16)4-5-15(14)18-7-6-12(9-18)10-19/h4-5,8,11-12,17,19H,3,6-7,9-10H2,1-2H3
InChIKeyDCMOJTODZVAULK-UHFFFAOYSA-N
XLogP2.31
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 112626307
N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43283921
[1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol
CID 112626558
[1-[2-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol
CID 112626005
4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]morpholine-2-carbonitrile
CID 79674360
5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]benzaldehyde
CID 112626066
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
[1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol
CID 112626609
1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
CID 102958887
1-[5-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]-N-ethylethanamine
CID 103534496
[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]methanol
CID 53215506

Frequently Asked Questions

What is the IUPAC name of [1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol (CID 112625992) is [1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol is CCNC(C)c1cc(F)ccc1N1CCC(CO)C1.
What is the InChIKey of [1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol?
The InChIKey is DCMOJTODZVAULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-17-11(2)14-8-13(16)4-5-15(14)18-7-6-12(9-18)10-19/h4-5,8,11-12,17,19H,3,6-7,9-10H2,1-2H3.
What are the key properties of [1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol?
[1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol has a molecular weight of 266.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112625992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).