[1-[3-amino-3-(3-fluorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol

C15H23FN2O — CID 102789596

IUPAC[1-[3-amino-3-(3-fluorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(CCC(N)c2cccc(F)c2)C1CO
InChIInChI=1S/C15H23FN2O/c1-11-5-7-18(15(11)10-19)8-6-14(17)12-3-2-4-13(16)9-12/h2-4,9,11,14-15,19H,5-8,10,17H2,1H3
InChIKeyBXOGVJSTECGQEY-UHFFFAOYSA-N
MW266.36 g/mol
LogP1.92
Rot. Bonds5

About [1-[3-amino-3-(3-fluorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol

[1-[3-amino-3-(3-fluorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102789596) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is [1-[3-amino-3-(3-fluorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-amino-3-(3-fluorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102789596
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name[1-[3-amino-3-(3-fluorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(CCC(N)c2cccc(F)c2)C1CO
InChIInChI=1S/C15H23FN2O/c1-11-5-7-18(15(11)10-19)8-6-14(17)12-3-2-4-13(16)9-12/h2-4,9,11,14-15,19H,5-8,10,17H2,1H3
InChIKeyBXOGVJSTECGQEY-UHFFFAOYSA-N
XLogP1.92
TPSA49.49 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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789594
1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 62643218
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol
CID 102789664
[1-[3-amino-3-(2-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789551
1-[3-amino-3-(3-fluorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053507
[1-[3-(ethylamino)-3-phenylpropyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789593
1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 106589034
1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol
CID 81114930
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine
CID 62643133
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(3-fluorophenyl)propan-1-amine
CID 62643280
[1-[(2,3-difluorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102787791
3-(4-butan-2-ylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-amine
CID 62774063

Frequently Asked Questions

What is the IUPAC name of [1-[3-amino-3-(3-fluorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[3-amino-3-(3-fluorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol (CID 102789596) is [1-[3-amino-3-(3-fluorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[3-amino-3-(3-fluorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[3-amino-3-(3-fluorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(CCC(N)c2cccc(F)c2)C1CO.
What is the InChIKey of [1-[3-amino-3-(3-fluorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is BXOGVJSTECGQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11-5-7-18(15(11)10-19)8-6-14(17)12-3-2-4-13(16)9-12/h2-4,9,11,14-15,19H,5-8,10,17H2,1H3.
What are the key properties of [1-[3-amino-3-(3-fluorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[3-amino-3-(3-fluorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 266.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-amino-3-(3-fluorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).