ethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate

C15H22FNO2 — CID 54907921

IUPACethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate
SMILESCCOC(=O)C(C)(NC(C)CC)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-5-11(3)17-15(4,14(18)19-6-2)12-7-9-13(16)10-8-12/h7-11,17H,5-6H2,1-4H3
InChIKeyRMMYLGYKHUPHTA-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.99
Rot. Bonds6

About ethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate

ethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate (PubChem CID 54907921) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is ethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate
PubChem CID54907921
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Nameethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate
SMILESCCOC(=O)C(C)(NC(C)CC)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-5-11(3)17-15(4,14(18)19-6-2)12-7-9-13(16)10-8-12/h7-11,17H,5-6H2,1-4H3
InChIKeyRMMYLGYKHUPHTA-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate
CID 54907922
ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate
CID 61025459
ethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate
CID 60786846
ethyl 2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 60788346
ethyl 2-(4-fluorophenyl)-2-(propan-2-ylamino)butanoate
CID 60786506
ethyl 2-(butan-2-ylamino)-2-(2,4-dichloro-5-fluorophenyl)propanoate
CID 63523954
ethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate
CID 60788348
2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid
CID 61024139
ethyl 2-(butan-2-ylamino)-2-(2,5-dichlorophenyl)propanoate
CID 61025629
2-ethoxycarbonyl-2-(4-fluorophenyl)-4-methylpentanoic acid
CID 103974807
2-(butan-2-ylamino)-2-(3,4-difluorophenyl)propanamide
CID 54908455
ethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate
CID 61025042

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate?
The IUPAC name of ethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate (CID 54907921) is ethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate.
What is the SMILES notation for ethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate?
The canonical SMILES for ethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate is CCOC(=O)C(C)(NC(C)CC)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate?
The InChIKey is RMMYLGYKHUPHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-5-11(3)17-15(4,14(18)19-6-2)12-7-9-13(16)10-8-12/h7-11,17H,5-6H2,1-4H3.
What are the key properties of ethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate?
ethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate has a molecular weight of 267.34 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate is sourced from PubChem (CID 54907921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).