[1-[2-amino-1-(4-fluorophenyl)butyl]pyrrolidin-3-yl]methanol

C15H23FN2O — CID 112624411

IUPAC[1-[2-amino-1-(4-fluorophenyl)butyl]pyrrolidin-3-yl]methanol
SMILESCCC(N)C(c1ccc(F)cc1)N1CCC(CO)C1
InChIInChI=1S/C15H23FN2O/c1-2-14(17)15(12-3-5-13(16)6-4-12)18-8-7-11(9-18)10-19/h3-6,11,14-15,19H,2,7-10,17H2,1H3
InChIKeyLOOZGAUVKMTLET-UHFFFAOYSA-N
MW266.36 g/mol
LogP1.92
Rot. Bonds5

About [1-[2-amino-1-(4-fluorophenyl)butyl]pyrrolidin-3-yl]methanol

[1-[2-amino-1-(4-fluorophenyl)butyl]pyrrolidin-3-yl]methanol (PubChem CID 112624411) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is [1-[2-amino-1-(4-fluorophenyl)butyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-amino-1-(4-fluorophenyl)butyl]pyrrolidin-3-yl]methanol
PubChem CID112624411
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name[1-[2-amino-1-(4-fluorophenyl)butyl]pyrrolidin-3-yl]methanol
SMILESCCC(N)C(c1ccc(F)cc1)N1CCC(CO)C1
InChIInChI=1S/C15H23FN2O/c1-2-14(17)15(12-3-5-13(16)6-4-12)18-8-7-11(9-18)10-19/h3-6,11,14-15,19H,2,7-10,17H2,1H3
InChIKeyLOOZGAUVKMTLET-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-[1-[2-amino-1-(4-fluorophenyl)butyl]piperidin-4-yl]ethanol
CID 106835544
1-(4-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505312
[1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624390
[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624337
[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]methanol
CID 112624471
1-(4-fluorophenyl)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-amine
CID 62987204
1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol
CID 62941502
1-(4-methylphenyl)-1-(3-methylpyrrolidin-1-yl)butan-2-amine
CID 55016632
1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol
CID 115964975
[1-[1-(4-bromophenyl)propyl]pyrrolidin-3-yl]methanol
CID 75386168
1-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-2-amine
CID 62329945
methyl 2-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetate
CID 111750143

Frequently Asked Questions

What is the IUPAC name of [1-[2-amino-1-(4-fluorophenyl)butyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-amino-1-(4-fluorophenyl)butyl]pyrrolidin-3-yl]methanol (CID 112624411) is [1-[2-amino-1-(4-fluorophenyl)butyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-amino-1-(4-fluorophenyl)butyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-amino-1-(4-fluorophenyl)butyl]pyrrolidin-3-yl]methanol is CCC(N)C(c1ccc(F)cc1)N1CCC(CO)C1.
What is the InChIKey of [1-[2-amino-1-(4-fluorophenyl)butyl]pyrrolidin-3-yl]methanol?
The InChIKey is LOOZGAUVKMTLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-2-14(17)15(12-3-5-13(16)6-4-12)18-8-7-11(9-18)10-19/h3-6,11,14-15,19H,2,7-10,17H2,1H3.
What are the key properties of [1-[2-amino-1-(4-fluorophenyl)butyl]pyrrolidin-3-yl]methanol?
[1-[2-amino-1-(4-fluorophenyl)butyl]pyrrolidin-3-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-[2-amino-1-(4-fluorophenyl)butyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112624411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).