methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate

C12H16FNO2 — CID 60788040

IUPACmethyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate
SMILESCCNC(C)(C(=O)OC)c1cccc(F)c1
InChIInChI=1S/C12H16FNO2/c1-4-14-12(2,11(15)16-3)9-6-5-7-10(13)8-9/h5-8,14H,4H2,1-3H3
InChIKeyCRSBDFCMLJRJNC-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.82
Rot. Bonds4

About methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate

methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate (PubChem CID 60788040) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate
PubChem CID60788040
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Namemethyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate
SMILESCCNC(C)(C(=O)OC)c1cccc(F)c1
InChIInChI=1S/C12H16FNO2/c1-4-14-12(2,11(15)16-3)9-6-5-7-10(13)8-9/h5-8,14H,4H2,1-3H3
InChIKeyCRSBDFCMLJRJNC-UHFFFAOYSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate
CID 146310495
methyl 2-(3-bromophenyl)-2-(ethylamino)propanoate
CID 60788201
ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate
CID 61309873
methyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate
CID 60788368
methyl 2-(2-bromoanilino)-2-(3-fluorophenyl)propanoate
CID 60992984
methyl 2-(3-bromoanilino)-2-(3-fluorophenyl)propanoate
CID 60993281
2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55135242
methyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate
CID 115043081
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)propanoate
CID 54918112
methyl 2-(2-methylpropylamino)-2-[3-(trifluoromethyl)phenyl]propanoate
CID 61002525
(2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid
CID 93279972
methyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83119735

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate?
The IUPAC name of methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate (CID 60788040) is methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate.
What is the SMILES notation for methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate?
The canonical SMILES for methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate is CCNC(C)(C(=O)OC)c1cccc(F)c1.
What is the InChIKey of methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate?
The InChIKey is CRSBDFCMLJRJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-4-14-12(2,11(15)16-3)9-6-5-7-10(13)8-9/h5-8,14H,4H2,1-3H3.
What are the key properties of methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate?
methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate has a molecular weight of 225.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate is sourced from PubChem (CID 60788040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).