2-(4-amino-2-fluoro-5-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one

C14H19FN2O2 — CID 114416056

IUPAC2-(4-amino-2-fluoro-5-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1cc(OC(C)C(=O)N2CCCC2)c(F)cc1N
InChIInChI=1S/C14H19FN2O2/c1-9-7-13(11(15)8-12(9)16)19-10(2)14(18)17-5-3-4-6-17/h7-8,10H,3-6,16H2,1-2H3
InChIKeyCKPWPMKLZSMQIY-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.11
Rot. Bonds3

About 2-(4-amino-2-fluoro-5-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one

2-(4-amino-2-fluoro-5-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 114416056) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(4-amino-2-fluoro-5-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-amino-2-fluoro-5-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID114416056
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-(4-amino-2-fluoro-5-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1cc(OC(C)C(=O)N2CCCC2)c(F)cc1N
InChIInChI=1S/C14H19FN2O2/c1-9-7-13(11(15)8-12(9)16)19-10(2)14(18)17-5-3-4-6-17/h7-8,10H,3-6,16H2,1-2H3
InChIKeyCKPWPMKLZSMQIY-UHFFFAOYSA-N
XLogP2.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.11
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

1-(azepan-1-yl)-2-(5-bromo-2-fluorophenoxy)propan-1-one
CID 115918466
2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 61313803
2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 61312232
2-(2-amino-4-chlorophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43116101
1-(azepan-1-yl)-2-(5-bromo-2,3-difluorophenoxy)propan-1-one
CID 107098795
(2R)-1-pyrrolidin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one
CID 38004866
(2R)-1-(azepan-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one
CID 92677756
2-(3-amino-2-methylphenoxy)-1-(azepan-1-yl)propan-1-one
CID 43437815
2-(5-amino-2-bromophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 103009013
1-(azepan-1-yl)-2-(2-bromo-4-fluorophenoxy)propan-1-one
CID 43086571
5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid
CID 43379931
2-[2-amino-5-(dimethylamino)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 79589771

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluoro-5-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(4-amino-2-fluoro-5-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one (CID 114416056) is 2-(4-amino-2-fluoro-5-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(4-amino-2-fluoro-5-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(4-amino-2-fluoro-5-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one is Cc1cc(OC(C)C(=O)N2CCCC2)c(F)cc1N.
What is the InChIKey of 2-(4-amino-2-fluoro-5-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is CKPWPMKLZSMQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9-7-13(11(15)8-12(9)16)19-10(2)14(18)17-5-3-4-6-17/h7-8,10H,3-6,16H2,1-2H3.
What are the key properties of 2-(4-amino-2-fluoro-5-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
2-(4-amino-2-fluoro-5-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 266.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluoro-5-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 114416056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).