2-ethyl-2-(ethylamino)-5-(3-fluoro-N-methylanilino)pentanoic acid

C16H25FN2O2 — CID 106806123

IUPAC2-ethyl-2-(ethylamino)-5-(3-fluoro-N-methylanilino)pentanoic acid
SMILESCCNC(CC)(CCCN(C)c1cccc(F)c1)C(=O)O
InChIInChI=1S/C16H25FN2O2/c1-4-16(15(20)21,18-5-2)10-7-11-19(3)14-9-6-8-13(17)12-14/h6,8-9,12,18H,4-5,7,10-11H2,1-3H3,(H,20,21)
InChIKeyGTWXIIPJBDRTFG-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.88
Rot. Bonds9

About 2-ethyl-2-(ethylamino)-5-(3-fluoro-N-methylanilino)pentanoic acid

2-ethyl-2-(ethylamino)-5-(3-fluoro-N-methylanilino)pentanoic acid (PubChem CID 106806123) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-(3-fluoro-N-methylanilino)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-(3-fluoro-N-methylanilino)pentanoic acid
PubChem CID106806123
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name2-ethyl-2-(ethylamino)-5-(3-fluoro-N-methylanilino)pentanoic acid
SMILESCCNC(CC)(CCCN(C)c1cccc(F)c1)C(=O)O
InChIInChI=1S/C16H25FN2O2/c1-4-16(15(20)21,18-5-2)10-7-11-19(3)14-9-6-8-13(17)12-14/h6,8-9,12,18H,4-5,7,10-11H2,1-3H3,(H,20,21)
InChIKeyGTWXIIPJBDRTFG-UHFFFAOYSA-N
XLogP2.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(methylamino)-5-(N-methylanilino)pentanoic acid
CID 106805637
5-(2,5-difluorophenyl)sulfanyl-2-ethyl-2-(ethylamino)pentanoic acid
CID 106807405
N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 62437244
5-(2,4-difluorophenoxy)-2-ethyl-2-(ethylamino)pentanoic acid
CID 106806922
5-(3-fluoro-N-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063622
5-(3-fluoro-N-methylanilino)pentanehydrazide
CID 63583475
2-amino-6-(3-fluoro-N-methylanilino)-2-methylhexan-1-ol
CID 64791344
2-ethyl-2-(3-fluoroanilino)butanoic acid
CID 60993028
2-(N-ethyl-3-fluoroanilino)-2-methylpropanoic acid
CID 114999043
4-(3-fluoro-N-methylanilino)-2-(methylamino)butanamide
CID 63053993
1-(3-fluoro-N-methylanilino)butan-2-one
CID 62038249
3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide
CID 79631069

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-(3-fluoro-N-methylanilino)pentanoic acid?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-(3-fluoro-N-methylanilino)pentanoic acid (CID 106806123) is 2-ethyl-2-(ethylamino)-5-(3-fluoro-N-methylanilino)pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-(3-fluoro-N-methylanilino)pentanoic acid?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-(3-fluoro-N-methylanilino)pentanoic acid is CCNC(CC)(CCCN(C)c1cccc(F)c1)C(=O)O.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-(3-fluoro-N-methylanilino)pentanoic acid?
The InChIKey is GTWXIIPJBDRTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-4-16(15(20)21,18-5-2)10-7-11-19(3)14-9-6-8-13(17)12-14/h6,8-9,12,18H,4-5,7,10-11H2,1-3H3,(H,20,21).
What are the key properties of 2-ethyl-2-(ethylamino)-5-(3-fluoro-N-methylanilino)pentanoic acid?
2-ethyl-2-(ethylamino)-5-(3-fluoro-N-methylanilino)pentanoic acid has a molecular weight of 296.39 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-(3-fluoro-N-methylanilino)pentanoic acid is sourced from PubChem (CID 106806123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).