2-[5-[2-(ethylaminomethyl)-4-fluorophenyl]-3-pyridinyl]ethyl acetate

C18H21FN2O2 — CID 150153475

IUPAC2-[5-[2-(ethylaminomethyl)-4-fluorophenyl]-3-pyridinyl]ethyl acetate
SMILESCCNCc1cc(F)ccc1-c1cncc(CCOC(C)=O)c1
InChIInChI=1S/C18H21FN2O2/c1-3-20-11-16-9-17(19)4-5-18(16)15-8-14(10-21-12-15)6-7-23-13(2)22/h4-5,8-10,12,20H,3,6-7,11H2,1-2H3
InChIKeyFFSXLADLCACQCY-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.10
Rot. Bonds7

About 2-[5-[2-(ethylaminomethyl)-4-fluorophenyl]-3-pyridinyl]ethyl acetate

2-[5-[2-(ethylaminomethyl)-4-fluorophenyl]-3-pyridinyl]ethyl acetate (PubChem CID 150153475) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[5-[2-(ethylaminomethyl)-4-fluorophenyl]-3-pyridinyl]ethyl acetate.

Molecular Properties

Compound Name2-[5-[2-(ethylaminomethyl)-4-fluorophenyl]-3-pyridinyl]ethyl acetate
PubChem CID150153475
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name2-[5-[2-(ethylaminomethyl)-4-fluorophenyl]-3-pyridinyl]ethyl acetate
SMILESCCNCc1cc(F)ccc1-c1cncc(CCOC(C)=O)c1
InChIInChI=1S/C18H21FN2O2/c1-3-20-11-16-9-17(19)4-5-18(16)15-8-14(10-21-12-15)6-7-23-13(2)22/h4-5,8-10,12,20H,3,6-7,11H2,1-2H3
InChIKeyFFSXLADLCACQCY-UHFFFAOYSA-N
XLogP3.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(ethylaminomethyl)-4-fluorophenyl]-3-pyridinyl]ethyl acetate?
The IUPAC name of 2-[5-[2-(ethylaminomethyl)-4-fluorophenyl]-3-pyridinyl]ethyl acetate (CID 150153475) is 2-[5-[2-(ethylaminomethyl)-4-fluorophenyl]-3-pyridinyl]ethyl acetate.
What is the SMILES notation for 2-[5-[2-(ethylaminomethyl)-4-fluorophenyl]-3-pyridinyl]ethyl acetate?
The canonical SMILES for 2-[5-[2-(ethylaminomethyl)-4-fluorophenyl]-3-pyridinyl]ethyl acetate is CCNCc1cc(F)ccc1-c1cncc(CCOC(C)=O)c1.
What is the InChIKey of 2-[5-[2-(ethylaminomethyl)-4-fluorophenyl]-3-pyridinyl]ethyl acetate?
The InChIKey is FFSXLADLCACQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-3-20-11-16-9-17(19)4-5-18(16)15-8-14(10-21-12-15)6-7-23-13(2)22/h4-5,8-10,12,20H,3,6-7,11H2,1-2H3.
What are the key properties of 2-[5-[2-(ethylaminomethyl)-4-fluorophenyl]-3-pyridinyl]ethyl acetate?
2-[5-[2-(ethylaminomethyl)-4-fluorophenyl]-3-pyridinyl]ethyl acetate has a molecular weight of 316.38 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(ethylaminomethyl)-4-fluorophenyl]-3-pyridinyl]ethyl acetate is sourced from PubChem (CID 150153475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).