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

C19H21ClFNO2 — CID 58148881

IUPACethyl 2-[3-chloro-5-[2-(ethylaminomethyl)-4-fluorophenyl]phenyl]acetate
SMILESCCNCc1cc(F)ccc1-c1cc(Cl)cc(CC(=O)OCC)c1
InChIInChI=1S/C19H21ClFNO2/c1-3-22-12-15-11-17(21)5-6-18(15)14-7-13(8-16(20)10-14)9-19(23)24-4-2/h5-8,10-11,22H,3-4,9,12H2,1-2H3
InChIKeyFRXDUUVZMMBSTF-UHFFFAOYSA-N
MW349.83 g/mol
LogP4.36
Rot. Bonds7

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

ethyl 2-[3-chloro-5-[2-(ethylaminomethyl)-4-fluorophenyl]phenyl]acetate (PubChem CID 58148881) has the molecular formula C19H21ClFNO2 and a molecular weight of 349.83 g/mol. Its IUPAC name is ethyl 2-[3-chloro-5-[2-(ethylaminomethyl)-4-fluorophenyl]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-chloro-5-[2-(ethylaminomethyl)-4-fluorophenyl]phenyl]acetate
PubChem CID58148881
Molecular FormulaC19H21ClFNO2
Molecular Weight349.83 g/mol
Exact Mass349.12
IUPAC Nameethyl 2-[3-chloro-5-[2-(ethylaminomethyl)-4-fluorophenyl]phenyl]acetate
SMILESCCNCc1cc(F)ccc1-c1cc(Cl)cc(CC(=O)OCC)c1
InChIInChI=1S/C19H21ClFNO2/c1-3-22-12-15-11-17(21)5-6-18(15)14-7-13(8-16(20)10-14)9-19(23)24-4-2/h5-8,10-11,22H,3-4,9,12H2,1-2H3
InChIKeyFRXDUUVZMMBSTF-UHFFFAOYSA-N
XLogP4.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-chloro-5-(4-fluoro-2-formylphenyl)phenyl]acetate
CID 58149191
ethyl 2-[3-[2-(ethylaminomethyl)-4-fluorophenyl]-4-methoxyphenyl]acetate
CID 58149135
2-[5-[2-(ethylaminomethyl)-4-fluorophenyl]-3-pyridinyl]ethyl acetate
CID 150153475
ethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetate
CID 115257355
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
ethyl 2-[(3,5-dichlorophenyl)methylamino]acetate
CID 60811234
2-(2-ethoxy-2-oxoethyl)-5-fluorobenzoic acid
CID 169448838
N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032625
ethyl 2-[5-[2-(ethylaminomethyl)-4-methylphenyl]-6-methoxy-3-pyridinyl]acetate
CID 58565023
ethyl 2-[4-(3-chlorophenyl)phenyl]acetate
CID 131887311
ethyl 2-[5-chloro-2-(trifluoromethyl)phenyl]acetate
CID 66765121

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-chloro-5-[2-(ethylaminomethyl)-4-fluorophenyl]phenyl]acetate?
The IUPAC name of ethyl 2-[3-chloro-5-[2-(ethylaminomethyl)-4-fluorophenyl]phenyl]acetate (CID 58148881) is ethyl 2-[3-chloro-5-[2-(ethylaminomethyl)-4-fluorophenyl]phenyl]acetate.
What is the SMILES notation for ethyl 2-[3-chloro-5-[2-(ethylaminomethyl)-4-fluorophenyl]phenyl]acetate?
The canonical SMILES for ethyl 2-[3-chloro-5-[2-(ethylaminomethyl)-4-fluorophenyl]phenyl]acetate is CCNCc1cc(F)ccc1-c1cc(Cl)cc(CC(=O)OCC)c1.
What is the InChIKey of ethyl 2-[3-chloro-5-[2-(ethylaminomethyl)-4-fluorophenyl]phenyl]acetate?
The InChIKey is FRXDUUVZMMBSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO2/c1-3-22-12-15-11-17(21)5-6-18(15)14-7-13(8-16(20)10-14)9-19(23)24-4-2/h5-8,10-11,22H,3-4,9,12H2,1-2H3.
What are the key properties of ethyl 2-[3-chloro-5-[2-(ethylaminomethyl)-4-fluorophenyl]phenyl]acetate?
ethyl 2-[3-chloro-5-[2-(ethylaminomethyl)-4-fluorophenyl]phenyl]acetate has a molecular weight of 349.83 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-chloro-5-[2-(ethylaminomethyl)-4-fluorophenyl]phenyl]acetate is sourced from PubChem (CID 58148881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).