3-[(3-fluoroanilino)methyl]pyrrolidin-3-ol

C11H15FN2O — CID 105464057

IUPAC3-[(3-fluoroanilino)methyl]pyrrolidin-3-ol
SMILESOC1(CNc2cccc(F)c2)CCNC1
InChIInChI=1S/C11H15FN2O/c12-9-2-1-3-10(6-9)14-8-11(15)4-5-13-7-11/h1-3,6,13-15H,4-5,7-8H2
InChIKeyPPBWBJMKULTAHZ-UHFFFAOYSA-N
MW210.25 g/mol
LogP0.96
Rot. Bonds3

About 3-[(3-fluoroanilino)methyl]pyrrolidin-3-ol

3-[(3-fluoroanilino)methyl]pyrrolidin-3-ol (PubChem CID 105464057) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-[(3-fluoroanilino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(3-fluoroanilino)methyl]pyrrolidin-3-ol
PubChem CID105464057
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name3-[(3-fluoroanilino)methyl]pyrrolidin-3-ol
SMILESOC1(CNc2cccc(F)c2)CCNC1
InChIInChI=1S/C11H15FN2O/c12-9-2-1-3-10(6-9)14-8-11(15)4-5-13-7-11/h1-3,6,13-15H,4-5,7-8H2
InChIKeyPPBWBJMKULTAHZ-UHFFFAOYSA-N
XLogP0.96
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methylanilino)methyl]pyrrolidin-3-ol
CID 105459326
3-[(4-fluoroanilino)methyl]piperidin-3-ol
CID 105482018
3-[[[4-(3-fluorophenyl)oxan-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 70711050
4-(anilinomethyl)piperidin-4-ol
CID 56773843
3-[(4-methoxyanilino)methyl]pyrrolidin-3-ol
CID 105479226
3-(anilinomethyl)azetidin-3-ol
CID 69111462
3-(aminomethyl)-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 105463150
[4-(3-fluoroanilino)piperidin-4-yl]methanol
CID 61243193
4-[(5-fluoro-2-methylanilino)methyl]piperidin-4-ol
CID 126846923
1-[(3,5-difluoroanilino)methyl]cyclohexan-1-ol
CID 60900892
1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea
CID 125169589
N-(3-fluorophenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430420

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoroanilino)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[(3-fluoroanilino)methyl]pyrrolidin-3-ol (CID 105464057) is 3-[(3-fluoroanilino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[(3-fluoroanilino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[(3-fluoroanilino)methyl]pyrrolidin-3-ol is OC1(CNc2cccc(F)c2)CCNC1.
What is the InChIKey of 3-[(3-fluoroanilino)methyl]pyrrolidin-3-ol?
The InChIKey is PPBWBJMKULTAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c12-9-2-1-3-10(6-9)14-8-11(15)4-5-13-7-11/h1-3,6,13-15H,4-5,7-8H2.
What are the key properties of 3-[(3-fluoroanilino)methyl]pyrrolidin-3-ol?
3-[(3-fluoroanilino)methyl]pyrrolidin-3-ol has a molecular weight of 210.25 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoroanilino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 105464057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).