4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline

C17H19FN2O — CID 62916163

IUPAC4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline
SMILESNc1ccc(OC2CCN(Cc3ccccc3)C2)c(F)c1
InChIInChI=1S/C17H19FN2O/c18-16-10-14(19)6-7-17(16)21-15-8-9-20(12-15)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12,19H2
InChIKeyGTTWUGWNSYTDOE-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.06
Rot. Bonds4

About 4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline

4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline (PubChem CID 62916163) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline.

Molecular Properties

Compound Name4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline
PubChem CID62916163
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline
SMILESNc1ccc(OC2CCN(Cc3ccccc3)C2)c(F)c1
InChIInChI=1S/C17H19FN2O/c18-16-10-14(19)6-7-17(16)21-15-8-9-20(12-15)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12,19H2
InChIKeyGTTWUGWNSYTDOE-UHFFFAOYSA-N
XLogP3.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-benzylpyrrolidin-3-yl)oxy-3-bromoaniline
CID 62916334
3-fluoro-4-(1-phenylpiperidin-4-yl)oxyaniline
CID 137455233
8-(1-benzylpyrrolidin-3-yl)oxyquinolin-2-amine
CID 22254574
2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine
CID 62916852
4-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyrimidin-2-amine
CID 80879763
O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
CID 142714057
2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine
CID 94894903
2-(1-benzylpyrrolidin-3-yl)oxy-6-chloropyridin-3-amine
CID 115474532
6-(1-benzylpyrrolidin-3-yl)oxy-7-methylisoquinolin-1-amine
CID 68875331
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
1-N-(1-benzylpyrrolidin-3-yl)-2-bromobenzene-1,4-diamine
CID 130558138
2-(1-benzylpyrrolidin-3-yl)oxypyridin-3-amine
CID 62911300

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline?
The IUPAC name of 4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline (CID 62916163) is 4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline.
What is the SMILES notation for 4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline?
The canonical SMILES for 4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline is Nc1ccc(OC2CCN(Cc3ccccc3)C2)c(F)c1.
What is the InChIKey of 4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline?
The InChIKey is GTTWUGWNSYTDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c18-16-10-14(19)6-7-17(16)21-15-8-9-20(12-15)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12,19H2.
What are the key properties of 4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline?
4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline has a molecular weight of 286.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline is sourced from PubChem (CID 62916163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).