1-[(3-amino-5-fluorophenyl)methyl]pyrrolidin-3-ol

C11H15FN2O — CID 112646139

IUPAC1-[(3-amino-5-fluorophenyl)methyl]pyrrolidin-3-ol
SMILESNc1cc(F)cc(CN2CCC(O)C2)c1
InChIInChI=1S/C11H15FN2O/c12-9-3-8(4-10(13)5-9)6-14-2-1-11(15)7-14/h3-5,11,15H,1-2,6-7,13H2
InChIKeyDKXBURODMMVCML-UHFFFAOYSA-N
MW210.25 g/mol
LogP0.97
Rot. Bonds2

About 1-[(3-amino-5-fluorophenyl)methyl]pyrrolidin-3-ol

1-[(3-amino-5-fluorophenyl)methyl]pyrrolidin-3-ol (PubChem CID 112646139) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-[(3-amino-5-fluorophenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(3-amino-5-fluorophenyl)methyl]pyrrolidin-3-ol
PubChem CID112646139
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name1-[(3-amino-5-fluorophenyl)methyl]pyrrolidin-3-ol
SMILESNc1cc(F)cc(CN2CCC(O)C2)c1
InChIInChI=1S/C11H15FN2O/c12-9-3-8(4-10(13)5-9)6-14-2-1-11(15)7-14/h3-5,11,15H,1-2,6-7,13H2
InChIKeyDKXBURODMMVCML-UHFFFAOYSA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol
CID 79673830
(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol
CID 107225646
3-fluoro-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]aniline
CID 112646194
1-[(3,5-difluorophenyl)methyl]azetidin-3-ol
CID 105407824
3-[(4-cyclopropylpiperazin-1-yl)methyl]-5-fluoroaniline
CID 112646026
(3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103883025
1-[(3-amino-5-bromophenyl)methyl]-4-methylpiperidin-3-ol
CID 103350030
3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-5-fluoroaniline
CID 112646168
3-[(4-ethylpiperazin-1-yl)methyl]-5-fluoroaniline
CID 112645892
(3R,4R)-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol
CID 134702526
1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol
CID 81148745
2-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]benzoic acid
CID 106699274

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-5-fluorophenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(3-amino-5-fluorophenyl)methyl]pyrrolidin-3-ol (CID 112646139) is 1-[(3-amino-5-fluorophenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(3-amino-5-fluorophenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(3-amino-5-fluorophenyl)methyl]pyrrolidin-3-ol is Nc1cc(F)cc(CN2CCC(O)C2)c1.
What is the InChIKey of 1-[(3-amino-5-fluorophenyl)methyl]pyrrolidin-3-ol?
The InChIKey is DKXBURODMMVCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c12-9-3-8(4-10(13)5-9)6-14-2-1-11(15)7-14/h3-5,11,15H,1-2,6-7,13H2.
What are the key properties of 1-[(3-amino-5-fluorophenyl)methyl]pyrrolidin-3-ol?
1-[(3-amino-5-fluorophenyl)methyl]pyrrolidin-3-ol has a molecular weight of 210.25 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-5-fluorophenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 112646139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).