3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline

C11H15FN2O — CID 103530518

IUPAC3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline
SMILESCOC1CCN(c2ccc(N)cc2F)C1
InChIInChI=1S/C11H15FN2O/c1-15-9-4-5-14(7-9)11-3-2-8(13)6-10(11)12/h2-3,6,9H,4-5,7,13H2,1H3
InChIKeyIOKXNMRAXKVINP-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.63
Rot. Bonds2

About 3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline

3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline (PubChem CID 103530518) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline.

Molecular Properties

Compound Name3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline
PubChem CID103530518
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline
SMILESCOC1CCN(c2ccc(N)cc2F)C1
InChIInChI=1S/C11H15FN2O/c1-15-9-4-5-14(7-9)11-3-2-8(13)6-10(11)12/h2-3,6,9H,4-5,7,13H2,1H3
InChIKeyIOKXNMRAXKVINP-UHFFFAOYSA-N
XLogP1.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
CID 103530728
ethyl 3-fluoro-4-(3-methoxypyrrolidin-1-yl)benzoate
CID 146335739
2-amino-4-fluoro-5-(3-methoxypyrrolidin-1-yl)benzoic acid
CID 103537163
3-fluoro-4-[(3S)-3-methylpiperidin-1-yl]aniline
CID 28664912
[3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine
CID 102955941
5-amino-2-(3-methoxypiperidin-1-yl)benzenesulfonamide
CID 102955753
[1-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol
CID 43133145
[2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
CID 107933093
2-[1-(4-amino-2-fluorophenyl)pyrrolidin-3-yl]ethanol
CID 114796888
5-fluoro-2-(3-methoxypyrrolidin-1-yl)benzonitrile
CID 103533377
1-(3-chloro-2-fluorophenyl)-3-methoxypyrrolidine
CID 90124088
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline
CID 54985871

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline?
The IUPAC name of 3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline (CID 103530518) is 3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline.
What is the SMILES notation for 3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline?
The canonical SMILES for 3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline is COC1CCN(c2ccc(N)cc2F)C1.
What is the InChIKey of 3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline?
The InChIKey is IOKXNMRAXKVINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-15-9-4-5-14(7-9)11-3-2-8(13)6-10(11)12/h2-3,6,9H,4-5,7,13H2,1H3.
What are the key properties of 3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline?
3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline has a molecular weight of 210.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline is sourced from PubChem (CID 103530518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).