methyl 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)butanoate

C15H20FNO2 — CID 54894019

IUPACmethyl 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)butanoate
SMILESCCC(NCC1CC1)(C(=O)OC)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-3-15(14(18)19-2,17-10-11-4-5-11)12-6-8-13(16)9-7-12/h6-9,11,17H,3-5,10H2,1-2H3
InChIKeyMKKXWLHFMCQMEH-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.60
Rot. Bonds6

About methyl 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)butanoate

methyl 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)butanoate (PubChem CID 54894019) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)butanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)butanoate
PubChem CID54894019
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Namemethyl 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)butanoate
SMILESCCC(NCC1CC1)(C(=O)OC)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-3-15(14(18)19-2,17-10-11-4-5-11)12-6-8-13(16)9-7-12/h6-9,11,17H,3-5,10H2,1-2H3
InChIKeyMKKXWLHFMCQMEH-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(4-bromophenyl)-2-(cyclopropylmethylamino)butanoate
CID 54894117
methyl 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)butanoate
CID 60993623
methyl 2-anilino-2-(4-fluorophenyl)butanoate
CID 60992178
ethyl 2-(4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)butanoate
CID 60997637
methyl 2-(cyclopropylmethylamino)-2-[4-(trifluoromethyl)phenyl]propanoate
CID 61002805
methyl 2-(4-hydroxyphenyl)-2-(propylamino)butanoate
CID 60797022
methyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate
CID 60999109
2-(cyclopropylmethylamino)-2-(2-fluorophenyl)butanamide
CID 112677148
methyl 2-(4-methoxyphenyl)-2-(propylamino)butanoate
CID 54918211
methyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83119001
2-(4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)butanoic acid
CID 54892938
methyl 2-(4-methoxyphenyl)-2-(prop-2-ynylamino)butanoate
CID 62365811

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)butanoate?
The IUPAC name of methyl 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)butanoate (CID 54894019) is methyl 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)butanoate.
What is the SMILES notation for methyl 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)butanoate?
The canonical SMILES for methyl 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)butanoate is CCC(NCC1CC1)(C(=O)OC)c1ccc(F)cc1.
What is the InChIKey of methyl 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)butanoate?
The InChIKey is MKKXWLHFMCQMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-15(14(18)19-2,17-10-11-4-5-11)12-6-8-13(16)9-7-12/h6-9,11,17H,3-5,10H2,1-2H3.
What are the key properties of methyl 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)butanoate?
methyl 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)butanoate has a molecular weight of 265.33 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)butanoate is sourced from PubChem (CID 54894019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).