[1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol

C15H23FN2O — CID 112628961

IUPAC[1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol
SMILESCNC(CCN1CCC(CO)C1)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-17-15(13-2-4-14(16)5-3-13)7-9-18-8-6-12(10-18)11-19/h2-5,12,15,17,19H,6-11H2,1H3
InChIKeyGGNYBVXRVPSMNC-UHFFFAOYSA-N
MW266.36 g/mol
LogP1.79
Rot. Bonds6

About [1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol

[1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol (PubChem CID 112628961) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is [1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol
PubChem CID112628961
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name[1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol
SMILESCNC(CCN1CCC(CO)C1)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-17-15(13-2-4-14(16)5-3-13)7-9-18-8-6-12(10-18)11-19/h2-5,12,15,17,19H,6-11H2,1H3
InChIKeyGGNYBVXRVPSMNC-UHFFFAOYSA-N
XLogP1.79
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol with MolForge

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Related Compounds

3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62643870
1-(4-fluorophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645375
1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol
CID 106674209
3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62645471
1-[3-(4-fluorophenyl)-3-(methylamino)propyl]-4-methylpiperidin-4-ol
CID 81115500
1-(4-fluorophenyl)-N-methyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
CID 62644344
(4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone
CID 23541367
1-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]-3-methylpiperidin-4-ol
CID 114682006
1-(4-fluorophenyl)-N-methyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 62644041
1-(4-fluorophenyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine
CID 63619738
1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol
CID 62943222
N-ethyl-3-(3-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645008

Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol (CID 112628961) is [1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol is CNC(CCN1CCC(CO)C1)c1ccc(F)cc1.
What is the InChIKey of [1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol?
The InChIKey is GGNYBVXRVPSMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-17-15(13-2-4-14(16)5-3-13)7-9-18-8-6-12(10-18)11-19/h2-5,12,15,17,19H,6-11H2,1H3.
What are the key properties of [1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol?
[1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol has a molecular weight of 266.36 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112628961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).