ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate

C17H18FNO2 — CID 103600877

IUPACethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate
SMILESCCOC(=O)C(NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H18FNO2/c1-2-21-17(20)16(14-6-4-3-5-7-14)19-12-13-8-10-15(18)11-9-13/h3-11,16,19H,2,12H2,1H3
InChIKeyNEEFUJOXXQQHHH-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.22
Rot. Bonds6

About ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate

ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate (PubChem CID 103600877) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate
PubChem CID103600877
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Nameethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate
SMILESCCOC(=O)C(NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H18FNO2/c1-2-21-17(20)16(14-6-4-3-5-7-14)19-12-13-8-10-15(18)11-9-13/h3-11,16,19H,2,12H2,1H3
InChIKeyNEEFUJOXXQQHHH-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(benzylamino)-2-(3-fluorophenyl)acetate
CID 60991187
ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate
CID 113245783
ethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate
CID 91380200
methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
CID 84747391
ethyl 2-(1,2-oxazol-5-ylmethylamino)-2-phenylacetate
CID 114186508
2-[[4-(ethoxymethyl)phenyl]methylamino]-2-phenylacetamide
CID 56811841
ethyl 2-(5-hydroxypentylamino)-2-phenylacetate
CID 107318255
ethyl 2-(3-methoxypropylamino)-2-phenylacetate
CID 103600852
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
prop-1-en-2-yl 2-[(4-ethylphenyl)methylamino]-2-phenylacetate
CID 89259441
ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate
CID 113357564

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate?
The IUPAC name of ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate (CID 103600877) is ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate?
The canonical SMILES for ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate is CCOC(=O)C(NCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate?
The InChIKey is NEEFUJOXXQQHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-2-21-17(20)16(14-6-4-3-5-7-14)19-12-13-8-10-15(18)11-9-13/h3-11,16,19H,2,12H2,1H3.
What are the key properties of ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate?
ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate has a molecular weight of 287.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate is sourced from PubChem (CID 103600877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).