4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline

C11H15FN2O — CID 117095591

IUPAC4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline
SMILESNc1ccc(F)cc1OCC1CCCN1
InChIInChI=1S/C11H15FN2O/c12-8-3-4-10(13)11(6-8)15-7-9-2-1-5-14-9/h3-4,6,9,14H,1-2,5,7,13H2
InChIKeyLMHPKYPMXDZNHH-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.54
Rot. Bonds3

About 4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline

4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline (PubChem CID 117095591) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline.

Molecular Properties

Compound Name4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline
PubChem CID117095591
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline
SMILESNc1ccc(F)cc1OCC1CCCN1
InChIInChI=1S/C11H15FN2O/c12-8-3-4-10(13)11(6-8)15-7-9-2-1-5-14-9/h3-4,6,9,14H,1-2,5,7,13H2
InChIKeyLMHPKYPMXDZNHH-UHFFFAOYSA-N
XLogP1.54
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.54
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

(2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine
CID 67315733
2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 84693117
2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 146447660
(2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 102820264
(2S)-2-[(4-bromo-2-fluorophenoxy)methyl]pyrrolidine
CID 102820104
2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile
CID 94406444
(2R)-2-[[2-(trifluoromethoxy)phenoxy]methyl]pyrrolidine
CID 102820256
(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine
CID 28750068
2-[(2,5-difluorophenyl)methoxymethyl]pyrrolidine
CID 62333624
5-[(4-fluorophenoxy)methyl]-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole
CID 155523809
[2-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]methanol
CID 102820156
2-methoxy-3-(pyrrolidin-2-ylmethoxy)pyridine
CID 122208651

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline?
The IUPAC name of 4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline (CID 117095591) is 4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline.
What is the SMILES notation for 4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline?
The canonical SMILES for 4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline is Nc1ccc(F)cc1OCC1CCCN1.
What is the InChIKey of 4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline?
The InChIKey is LMHPKYPMXDZNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c12-8-3-4-10(13)11(6-8)15-7-9-2-1-5-14-9/h3-4,6,9,14H,1-2,5,7,13H2.
What are the key properties of 4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline?
4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline has a molecular weight of 210.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline is sourced from PubChem (CID 117095591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).