methyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate

C14H19F2NO3 — CID 115352796

IUPACmethyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate
SMILESCCC(NC(C)c1ccccc1OC(F)F)C(=O)OC
InChIInChI=1S/C14H19F2NO3/c1-4-11(13(18)19-3)17-9(2)10-7-5-6-8-12(10)20-14(15)16/h5-9,11,14,17H,4H2,1-3H3
InChIKeyRSECRCQURUJHTE-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.89
Rot. Bonds7

About methyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate

methyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate (PubChem CID 115352796) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is methyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate
PubChem CID115352796
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Namemethyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate
SMILESCCC(NC(C)c1ccccc1OC(F)F)C(=O)OC
InChIInChI=1S/C14H19F2NO3/c1-4-11(13(18)19-3)17-9(2)10-7-5-6-8-12(10)20-14(15)16/h5-9,11,14,17H,4H2,1-3H3
InChIKeyRSECRCQURUJHTE-UHFFFAOYSA-N
XLogP2.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate
CID 115282442
2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 115352797
2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol
CID 43207134
methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate
CID 115282443
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine
CID 43787074
(2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119285586
N-[1-[2-(difluoromethoxy)phenyl]ethyl]pent-1-yn-3-amine
CID 106225024
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide
CID 79813978
4-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 80543450
ethyl 2-(butan-2-ylamino)-2-[2-(difluoromethoxy)phenyl]acetate
CID 61023653
methyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate
CID 43732354
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide
CID 43709973

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate?
The IUPAC name of methyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate (CID 115352796) is methyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate.
What is the SMILES notation for methyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate?
The canonical SMILES for methyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate is CCC(NC(C)c1ccccc1OC(F)F)C(=O)OC.
What is the InChIKey of methyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate?
The InChIKey is RSECRCQURUJHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-4-11(13(18)19-3)17-9(2)10-7-5-6-8-12(10)20-14(15)16/h5-9,11,14,17H,4H2,1-3H3.
What are the key properties of methyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate?
methyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate has a molecular weight of 287.31 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate is sourced from PubChem (CID 115352796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).