4-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline

C12H17FN2O — CID 62376118

IUPAC4-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline
SMILESNc1ccc(F)cc1OCCN1CCCC1
InChIInChI=1S/C12H17FN2O/c13-10-3-4-11(14)12(9-10)16-8-7-15-5-1-2-6-15/h3-4,9H,1-2,5-8,14H2
InChIKeyWOHXIQXGCUCTCI-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.88
Rot. Bonds4

About 4-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline

4-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline (PubChem CID 62376118) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline.

Molecular Properties

Compound Name4-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline
PubChem CID62376118
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name4-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline
SMILESNc1ccc(F)cc1OCCN1CCCC1
InChIInChI=1S/C12H17FN2O/c13-10-3-4-11(14)12(9-10)16-8-7-15-5-1-2-6-15/h3-4,9H,1-2,5-8,14H2
InChIKeyWOHXIQXGCUCTCI-UHFFFAOYSA-N
XLogP1.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.88
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

2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
4-amino-3-(2-pyrrolidin-1-ylethoxy)benzoic acid
CID 82796589
4-fluoro-3-(2-piperidin-1-ylethoxy)aniline
CID 139983014
1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one
CID 82896589
propyl 4-amino-3-(2-pyrrolidin-1-ylethoxy)benzoate
CID 82057522
N-ethyl-1-[4-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 63065873
5-fluoro-2-(2-piperidin-1-ylethoxy)benzenesulfonyl chloride
CID 82910013
3-bromo-5-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910960
N-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 107696192
4-N-[2-(azepan-1-yl)ethyl]-2-propoxybenzene-1,4-diamine
CID 63669842
2-[2-(azepan-1-yl)ethoxy]-5-methylaniline;dihydrochloride
CID 46736515
1-[2-(2,4-difluorophenoxy)ethyl]-1,4-diazepane
CID 82088956

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline?
The IUPAC name of 4-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline (CID 62376118) is 4-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline.
What is the SMILES notation for 4-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline?
The canonical SMILES for 4-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline is Nc1ccc(F)cc1OCCN1CCCC1.
What is the InChIKey of 4-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline?
The InChIKey is WOHXIQXGCUCTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-10-3-4-11(14)12(9-10)16-8-7-15-5-1-2-6-15/h3-4,9H,1-2,5-8,14H2.
What are the key properties of 4-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline?
4-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline has a molecular weight of 224.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline is sourced from PubChem (CID 62376118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).