methyl 2-[cyclopropyl(methyl)amino]-2-(5-fluoro-2-methoxyphenyl)acetate

C14H18FNO3 — CID 116857401

IUPACmethyl 2-[cyclopropyl(methyl)amino]-2-(5-fluoro-2-methoxyphenyl)acetate
SMILESCOC(=O)C(c1cc(F)ccc1OC)N(C)C1CC1
InChIInChI=1S/C14H18FNO3/c1-16(10-5-6-10)13(14(17)19-3)11-8-9(15)4-7-12(11)18-2/h4,7-8,10,13H,5-6H2,1-3H3
InChIKeyXOYSJKSOMMLATA-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.14
Rot. Bonds5

About methyl 2-[cyclopropyl(methyl)amino]-2-(5-fluoro-2-methoxyphenyl)acetate

methyl 2-[cyclopropyl(methyl)amino]-2-(5-fluoro-2-methoxyphenyl)acetate (PubChem CID 116857401) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is methyl 2-[cyclopropyl(methyl)amino]-2-(5-fluoro-2-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopropyl(methyl)amino]-2-(5-fluoro-2-methoxyphenyl)acetate
PubChem CID116857401
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Namemethyl 2-[cyclopropyl(methyl)amino]-2-(5-fluoro-2-methoxyphenyl)acetate
SMILESCOC(=O)C(c1cc(F)ccc1OC)N(C)C1CC1
InChIInChI=1S/C14H18FNO3/c1-16(10-5-6-10)13(14(17)19-3)11-8-9(15)4-7-12(11)18-2/h4,7-8,10,13H,5-6H2,1-3H3
InChIKeyXOYSJKSOMMLATA-UHFFFAOYSA-N
XLogP2.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[cyclopropyl(methyl)amino]-2-phenylacetate
CID 116857387
2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
CID 112514944
1-(5-fluoro-2-methoxyphenyl)-N,N-dimethyl-1-piperidin-4-ylmethanamine
CID 82304521
methyl 2-(3-bromophenyl)-2-[cyclopropyl(methyl)amino]acetate
CID 116857430
2-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336
4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one
CID 116940506
2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 116942190
(5-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107177071
methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate
CID 115282443
4-(dimethylamino)-4-(5-fluoro-2-methoxyphenyl)-2-methylbutanoic acid
CID 116908253
[2-cyclohexyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
CID 105330836
[1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol
CID 82771557

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopropyl(methyl)amino]-2-(5-fluoro-2-methoxyphenyl)acetate?
The IUPAC name of methyl 2-[cyclopropyl(methyl)amino]-2-(5-fluoro-2-methoxyphenyl)acetate (CID 116857401) is methyl 2-[cyclopropyl(methyl)amino]-2-(5-fluoro-2-methoxyphenyl)acetate.
What is the SMILES notation for methyl 2-[cyclopropyl(methyl)amino]-2-(5-fluoro-2-methoxyphenyl)acetate?
The canonical SMILES for methyl 2-[cyclopropyl(methyl)amino]-2-(5-fluoro-2-methoxyphenyl)acetate is COC(=O)C(c1cc(F)ccc1OC)N(C)C1CC1.
What is the InChIKey of methyl 2-[cyclopropyl(methyl)amino]-2-(5-fluoro-2-methoxyphenyl)acetate?
The InChIKey is XOYSJKSOMMLATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-16(10-5-6-10)13(14(17)19-3)11-8-9(15)4-7-12(11)18-2/h4,7-8,10,13H,5-6H2,1-3H3.
What are the key properties of methyl 2-[cyclopropyl(methyl)amino]-2-(5-fluoro-2-methoxyphenyl)acetate?
methyl 2-[cyclopropyl(methyl)amino]-2-(5-fluoro-2-methoxyphenyl)acetate has a molecular weight of 267.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopropyl(methyl)amino]-2-(5-fluoro-2-methoxyphenyl)acetate is sourced from PubChem (CID 116857401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).