methyl 2-(cyclopropylmethylamino)-2-[3-(difluoromethyl)phenyl]acetate

C14H17F2NO2 — CID 115527084

IUPACmethyl 2-(cyclopropylmethylamino)-2-[3-(difluoromethyl)phenyl]acetate
SMILESCOC(=O)C(NCC1CC1)c1cccc(C(F)F)c1
InChIInChI=1S/C14H17F2NO2/c1-19-14(18)12(17-8-9-5-6-9)10-3-2-4-11(7-10)13(15)16/h2-4,7,9,12-13,17H,5-6,8H2,1H3
InChIKeyFZCPNTAZUKMICE-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.84
Rot. Bonds6

About methyl 2-(cyclopropylmethylamino)-2-[3-(difluoromethyl)phenyl]acetate

methyl 2-(cyclopropylmethylamino)-2-[3-(difluoromethyl)phenyl]acetate (PubChem CID 115527084) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is methyl 2-(cyclopropylmethylamino)-2-[3-(difluoromethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylmethylamino)-2-[3-(difluoromethyl)phenyl]acetate
PubChem CID115527084
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Namemethyl 2-(cyclopropylmethylamino)-2-[3-(difluoromethyl)phenyl]acetate
SMILESCOC(=O)C(NCC1CC1)c1cccc(C(F)F)c1
InChIInChI=1S/C14H17F2NO2/c1-19-14(18)12(17-8-9-5-6-9)10-3-2-4-11(7-10)13(15)16/h2-4,7,9,12-13,17H,5-6,8H2,1H3
InChIKeyFZCPNTAZUKMICE-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-(difluoromethyl)phenyl]-2-(oxolan-2-ylmethylamino)acetate
CID 115527064
methyl 2-(cyclopropylmethylamino)-2-(3,4-difluorophenyl)acetate
CID 54894261
methyl 2-(cyclopropylmethylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate
CID 107690278
methyl 2-(cyclopropylmethylamino)-2-(3,4-dibromophenyl)acetate
CID 114077398
methyl 2-phenyl-2-(piperidin-3-ylmethylamino)acetate
CID 80555688
methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 54890052
2-(cyclopropylmethylamino)-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 107104719
methyl 3-[3-(difluoromethyl)phenyl]-3-hydroxy-2-methylpropanoate
CID 115528620
ethyl 2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)acetate
CID 113328818
ethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 61001864
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)methylamino]acetic acid
CID 122038525
methyl 2-(cyclopropylmethylamino)-2-(2-ethoxyphenyl)acetate
CID 54894498

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylmethylamino)-2-[3-(difluoromethyl)phenyl]acetate?
The IUPAC name of methyl 2-(cyclopropylmethylamino)-2-[3-(difluoromethyl)phenyl]acetate (CID 115527084) is methyl 2-(cyclopropylmethylamino)-2-[3-(difluoromethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-(cyclopropylmethylamino)-2-[3-(difluoromethyl)phenyl]acetate?
The canonical SMILES for methyl 2-(cyclopropylmethylamino)-2-[3-(difluoromethyl)phenyl]acetate is COC(=O)C(NCC1CC1)c1cccc(C(F)F)c1.
What is the InChIKey of methyl 2-(cyclopropylmethylamino)-2-[3-(difluoromethyl)phenyl]acetate?
The InChIKey is FZCPNTAZUKMICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-19-14(18)12(17-8-9-5-6-9)10-3-2-4-11(7-10)13(15)16/h2-4,7,9,12-13,17H,5-6,8H2,1H3.
What are the key properties of methyl 2-(cyclopropylmethylamino)-2-[3-(difluoromethyl)phenyl]acetate?
methyl 2-(cyclopropylmethylamino)-2-[3-(difluoromethyl)phenyl]acetate has a molecular weight of 269.29 g/mol, XLogP of 2.84, 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-[3-(difluoromethyl)phenyl]acetate is sourced from PubChem (CID 115527084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).