3-fluoroaniline;pyrrolidin-2-ylmethanol

C11H17FN2O — CID 69484506

IUPAC3-fluoroaniline;pyrrolidin-2-ylmethanol
SMILESNc1cccc(F)c1.OCC1CCCN1
InChIInChI=1S/C6H6FN.C5H11NO/c7-5-2-1-3-6(8)4-5;7-4-5-2-1-3-6-5/h1-4H,8H2;5-7H,1-4H2
InChIKeyOHIYWOPVBDQWEM-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.14
Rot. Bonds1

About 3-fluoroaniline;pyrrolidin-2-ylmethanol

3-fluoroaniline;pyrrolidin-2-ylmethanol (PubChem CID 69484506) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-fluoroaniline;pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Name3-fluoroaniline;pyrrolidin-2-ylmethanol
PubChem CID69484506
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name3-fluoroaniline;pyrrolidin-2-ylmethanol
SMILESNc1cccc(F)c1.OCC1CCCN1
InChIInChI=1S/C6H6FN.C5H11NO/c7-5-2-1-3-6(8)4-5;7-4-5-2-1-3-6-5/h1-4H,8H2;5-7H,1-4H2
InChIKeyOHIYWOPVBDQWEM-UHFFFAOYSA-N
XLogP1.14
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-pyrrolidin-2-yl]methanol;zinc
CID 175136372
[5-(3-fluorophenyl)piperidin-2-yl]methanol
CID 117000449
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540928
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
[5-fluoro-2-(pyrrolidin-2-ylmethyl)phenyl]methanol
CID 145138522
4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline
CID 117095591
(1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638924
2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol
CID 79560091
cumene;pyrrolidin-2-ylmethanol
CID 142237933
1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol
CID 142267909
3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974220

Frequently Asked Questions

What is the IUPAC name of 3-fluoroaniline;pyrrolidin-2-ylmethanol?
The IUPAC name of 3-fluoroaniline;pyrrolidin-2-ylmethanol (CID 69484506) is 3-fluoroaniline;pyrrolidin-2-ylmethanol.
What is the SMILES notation for 3-fluoroaniline;pyrrolidin-2-ylmethanol?
The canonical SMILES for 3-fluoroaniline;pyrrolidin-2-ylmethanol is Nc1cccc(F)c1.OCC1CCCN1.
What is the InChIKey of 3-fluoroaniline;pyrrolidin-2-ylmethanol?
The InChIKey is OHIYWOPVBDQWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN.C5H11NO/c7-5-2-1-3-6(8)4-5;7-4-5-2-1-3-6-5/h1-4H,8H2;5-7H,1-4H2.
What are the key properties of 3-fluoroaniline;pyrrolidin-2-ylmethanol?
3-fluoroaniline;pyrrolidin-2-ylmethanol has a molecular weight of 212.27 g/mol, XLogP of 1.14, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoroaniline;pyrrolidin-2-ylmethanol is sourced from PubChem (CID 69484506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).