2-(2-amino-5-fluoro-N-methylanilino)ethyl-methylcarbamic acid

C11H16FN3O2 — CID 135325242

IUPAC2-(2-amino-5-fluoro-N-methylanilino)ethyl-methylcarbamic acid
SMILESCN(CCN(C)c1cc(F)ccc1N)C(=O)O
InChIInChI=1S/C11H16FN3O2/c1-14(5-6-15(2)11(16)17)10-7-8(12)3-4-9(10)13/h3-4,7H,5-6,13H2,1-2H3,(H,16,17)
InChIKeyRIQDFDRKTVUIIK-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.45
Rot. Bonds4

About 2-(2-amino-5-fluoro-N-methylanilino)ethyl-methylcarbamic acid

2-(2-amino-5-fluoro-N-methylanilino)ethyl-methylcarbamic acid (PubChem CID 135325242) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-(2-amino-5-fluoro-N-methylanilino)ethyl-methylcarbamic acid.

Molecular Properties

Compound Name2-(2-amino-5-fluoro-N-methylanilino)ethyl-methylcarbamic acid
PubChem CID135325242
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name2-(2-amino-5-fluoro-N-methylanilino)ethyl-methylcarbamic acid
SMILESCN(CCN(C)c1cc(F)ccc1N)C(=O)O
InChIInChI=1S/C11H16FN3O2/c1-14(5-6-15(2)11(16)17)10-7-8(12)3-4-9(10)13/h3-4,7H,5-6,13H2,1-2H3,(H,16,17)
InChIKeyRIQDFDRKTVUIIK-UHFFFAOYSA-N
XLogP1.45
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine
CID 63693587
4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
CID 81058264
4-amino-3-[(4-fluorophenyl)methyl-methylamino]benzamide
CID 63356230
4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 62378502
4-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 63206874
4-fluoro-2-N-methyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]benzene-1,2-diamine
CID 115124214
4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine
CID 115124219
2-(3-amino-N-methyl-2-nitroanilino)ethyl-methylcarbamic acid
CID 69230228
2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid
CID 150275747
2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine
CID 62376405
N-(2-amino-5-fluorophenyl)-N-dimethylboronamidic acid
CID 158241430
4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide
CID 112656815

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluoro-N-methylanilino)ethyl-methylcarbamic acid?
The IUPAC name of 2-(2-amino-5-fluoro-N-methylanilino)ethyl-methylcarbamic acid (CID 135325242) is 2-(2-amino-5-fluoro-N-methylanilino)ethyl-methylcarbamic acid.
What is the SMILES notation for 2-(2-amino-5-fluoro-N-methylanilino)ethyl-methylcarbamic acid?
The canonical SMILES for 2-(2-amino-5-fluoro-N-methylanilino)ethyl-methylcarbamic acid is CN(CCN(C)c1cc(F)ccc1N)C(=O)O.
What is the InChIKey of 2-(2-amino-5-fluoro-N-methylanilino)ethyl-methylcarbamic acid?
The InChIKey is RIQDFDRKTVUIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-14(5-6-15(2)11(16)17)10-7-8(12)3-4-9(10)13/h3-4,7H,5-6,13H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-amino-5-fluoro-N-methylanilino)ethyl-methylcarbamic acid?
2-(2-amino-5-fluoro-N-methylanilino)ethyl-methylcarbamic acid has a molecular weight of 241.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluoro-N-methylanilino)ethyl-methylcarbamic acid is sourced from PubChem (CID 135325242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).