1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol

C14H21FN2O — CID 62943222

IUPAC1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol
SMILESCNC(CCN1CCC(O)C1)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-16-14(11-3-2-4-12(15)9-11)6-8-17-7-5-13(18)10-17/h2-4,9,13-14,16,18H,5-8,10H2,1H3
InChIKeyOURAWZDYMPMDDO-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.54
Rot. Bonds5

About 1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol

1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol (PubChem CID 62943222) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol
PubChem CID62943222
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol
SMILESCNC(CCN1CCC(O)C1)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-16-14(11-3-2-4-12(15)9-11)6-8-17-7-5-13(18)10-17/h2-4,9,13-14,16,18H,5-8,10H2,1H3
InChIKeyOURAWZDYMPMDDO-UHFFFAOYSA-N
XLogP1.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine
CID 63624690
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79933339
1-[3-(3-bromophenyl)-3-(methylamino)propyl]piperidin-4-ol
CID 62614162
1-[3-(3-bromophenyl)-3-(methylamino)propyl]piperidin-3-ol
CID 62618608
1-[3-(3-chlorophenyl)-3-(methylamino)propyl]piperidin-3-ol
CID 55098461
1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 62645529
2-(4-fluorophenyl)-N-[1-[(3S)-3-(3-fluorophenyl)-3-(methylamino)propyl]piperidin-4-yl]acetamide
CID 58631035
1-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]-3-methylpiperidin-4-ol
CID 114682006
1-(3-fluorophenyl)-N-methyl-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83046131
(3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride
CID 23594216
3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 55160971
1-(4-fluorophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645375

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol (CID 62943222) is 1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol is CNC(CCN1CCC(O)C1)c1cccc(F)c1.
What is the InChIKey of 1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol?
The InChIKey is OURAWZDYMPMDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-16-14(11-3-2-4-12(15)9-11)6-8-17-7-5-13(18)10-17/h2-4,9,13-14,16,18H,5-8,10H2,1H3.
What are the key properties of 1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol?
1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol has a molecular weight of 252.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol is sourced from PubChem (CID 62943222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).