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

C16H25FN2O — CID 102781778

IUPAC[1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCCNC(C)c1ccc(N2CCC(C)C2CO)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-4-18-12(3)13-5-6-15(14(17)9-13)19-8-7-11(2)16(19)10-20/h5-6,9,11-12,16,18,20H,4,7-8,10H2,1-3H3
InChIKeyVPIWRYXNIWINIB-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.70
Rot. Bonds5

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

[1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102781778) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is [1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102781778
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name[1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCCNC(C)c1ccc(N2CCC(C)C2CO)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-4-18-12(3)13-5-6-15(14(17)9-13)19-8-7-11(2)16(19)10-20/h5-6,9,11-12,16,18,20H,4,7-8,10H2,1-3H3
InChIKeyVPIWRYXNIWINIB-UHFFFAOYSA-N
XLogP2.70
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine
CID 43283969
[1-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102781820
[1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-2-yl]methanol
CID 61406406
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine
CID 104959064
1-[4-(1,3-dihydroisoindol-2-yl)-3-fluorophenyl]-N-ethylethanamine
CID 62205579
1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidine-3-carboxamide
CID 43283894
1-[4-(4,4-dimethylazepan-1-yl)-3-fluorophenyl]-N-ethylethanamine
CID 65281352
N-ethyl-1-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]ethanamine
CID 43284437
1-[2-bromo-4-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
CID 102958895
N-ethyl-1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62974667
(1R)-1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol
CID 102782294
1-[3-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 102958984

Frequently Asked Questions

What is the IUPAC name of [1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-3-methylpyrrolidin-2-yl]methanol (CID 102781778) is [1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-3-methylpyrrolidin-2-yl]methanol is CCNC(C)c1ccc(N2CCC(C)C2CO)c(F)c1.
What is the InChIKey of [1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is VPIWRYXNIWINIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-18-12(3)13-5-6-15(14(17)9-13)19-8-7-11(2)16(19)10-20/h5-6,9,11-12,16,18,20H,4,7-8,10H2,1-3H3.
What are the key properties of [1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 280.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102781778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).