methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate

C13H18FNO2 — CID 60796122

IUPACmethyl 2-(2-fluorophenyl)-2-(propylamino)propanoate
SMILESCCCNC(C)(C(=O)OC)c1ccccc1F
InChIInChI=1S/C13H18FNO2/c1-4-9-15-13(2,12(16)17-3)10-7-5-6-8-11(10)14/h5-8,15H,4,9H2,1-3H3
InChIKeyUNEKMTOWEYDRFF-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.21
Rot. Bonds5

About methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate

methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate (PubChem CID 60796122) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-2-(propylamino)propanoate
PubChem CID60796122
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Namemethyl 2-(2-fluorophenyl)-2-(propylamino)propanoate
SMILESCCCNC(C)(C(=O)OC)c1ccccc1F
InChIInChI=1S/C13H18FNO2/c1-4-9-15-13(2,12(16)17-3)10-7-5-6-8-11(10)14/h5-8,15H,4,9H2,1-3H3
InChIKeyUNEKMTOWEYDRFF-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate
CID 62367199
methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate
CID 54894107
methyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate
CID 60991205
methyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate
CID 60796252
ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate
CID 60796649
methyl 2-(2-chloroanilino)-2-(2-fluorophenyl)propanoate
CID 60992066
ethyl 2-(2-fluorophenyl)-2-(prop-2-enylamino)propanoate
CID 55063479
methyl 2-(propylamino)-2-pyridin-4-ylpropanoate
CID 60795990
2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid
CID 43754018
2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)propanamide
CID 60995482
methyl 2-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate
CID 61001791
methyl 2-[4-(difluoromethoxy)phenyl]-2-(propylamino)propanoate
CID 60795366

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate?
The IUPAC name of methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate (CID 60796122) is methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate is CCCNC(C)(C(=O)OC)c1ccccc1F.
What is the InChIKey of methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate?
The InChIKey is UNEKMTOWEYDRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-4-9-15-13(2,12(16)17-3)10-7-5-6-8-11(10)14/h5-8,15H,4,9H2,1-3H3.
What are the key properties of methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate?
methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate has a molecular weight of 239.29 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate is sourced from PubChem (CID 60796122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).