methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate

C14H19FN2O2 — CID 103501861

IUPACmethyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate
SMILESCCNC(CN1CCc2ccc(F)cc21)C(=O)OC
InChIInChI=1S/C14H19FN2O2/c1-3-16-12(14(18)19-2)9-17-7-6-10-4-5-11(15)8-13(10)17/h4-5,8,12,16H,3,6-7,9H2,1-2H3
InChIKeyHQZNJUTWQKRJBY-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.34
Rot. Bonds5

About methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate

methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate (PubChem CID 103501861) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate
PubChem CID103501861
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Namemethyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate
SMILESCCNC(CN1CCc2ccc(F)cc21)C(=O)OC
InChIInChI=1S/C14H19FN2O2/c1-3-16-12(14(18)19-2)9-17-7-6-10-4-5-11(15)8-13(10)17/h4-5,8,12,16H,3,6-7,9H2,1-2H3
InChIKeyHQZNJUTWQKRJBY-UHFFFAOYSA-N
XLogP1.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 103497970
methyl 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)butanoate
CID 103501880
3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)propanoic acid
CID 103501858
(3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one
CID 146175141
6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one
CID 106801628
N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine
CID 103502548
N-ethyl-6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-amine
CID 106800163
2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 103501934
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)butanoic acid
CID 103501912
3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide
CID 130269379
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 103501927
2-ethoxy-4-(6-fluoro-2,3-dihydroindol-1-yl)butanoic acid
CID 103503737

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate?
The IUPAC name of methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate (CID 103501861) is methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate.
What is the SMILES notation for methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate?
The canonical SMILES for methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate is CCNC(CN1CCc2ccc(F)cc21)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate?
The InChIKey is HQZNJUTWQKRJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-3-16-12(14(18)19-2)9-17-7-6-10-4-5-11(15)8-13(10)17/h4-5,8,12,16H,3,6-7,9H2,1-2H3.
What are the key properties of methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate?
methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate has a molecular weight of 266.32 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate is sourced from PubChem (CID 103501861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).