tert-butyl N-[2-(2,3-difluoro-4-methylphenyl)-2-(methylamino)ethyl]carbamate

C15H22F2N2O2 — CID 170910503

IUPACtert-butyl N-[2-(2,3-difluoro-4-methylphenyl)-2-(methylamino)ethyl]carbamate
SMILESCNC(CNC(=O)OC(C)(C)C)c1ccc(C)c(F)c1F
InChIInChI=1S/C15H22F2N2O2/c1-9-6-7-10(13(17)12(9)16)11(18-5)8-19-14(20)21-15(2,3)4/h6-7,11,18H,8H2,1-5H3,(H,19,20)
InChIKeyIUXZNLRGJANYOC-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.06
Rot. Bonds4

About tert-butyl N-[2-(2,3-difluoro-4-methylphenyl)-2-(methylamino)ethyl]carbamate

tert-butyl N-[2-(2,3-difluoro-4-methylphenyl)-2-(methylamino)ethyl]carbamate (PubChem CID 170910503) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is tert-butyl N-[2-(2,3-difluoro-4-methylphenyl)-2-(methylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,3-difluoro-4-methylphenyl)-2-(methylamino)ethyl]carbamate
PubChem CID170910503
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Nametert-butyl N-[2-(2,3-difluoro-4-methylphenyl)-2-(methylamino)ethyl]carbamate
SMILESCNC(CNC(=O)OC(C)(C)C)c1ccc(C)c(F)c1F
InChIInChI=1S/C15H22F2N2O2/c1-9-6-7-10(13(17)12(9)16)11(18-5)8-19-14(20)21-15(2,3)4/h6-7,11,18H,8H2,1-5H3,(H,19,20)
InChIKeyIUXZNLRGJANYOC-UHFFFAOYSA-N
XLogP3.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(methylamino)-2-(1H-pyrrol-3-yl)ethyl]carbamate
CID 116861272
tert-butyl N-[2-hydroxy-2-(4-hydroxy-2-methylphenyl)ethyl]carbamate
CID 77221627
tert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate
CID 116861265
tert-butyl N-[3-(2-fluoro-3-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831727
tert-butyl N-[2-amino-2-(2,4-difluorophenyl)ethyl]carbamate;hydrochloride
CID 76853764
tert-butyl N-[3-(3-fluoro-4-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831658
tert-butyl N-[2,3-dihydroxy-3-(4-hydroxy-2-methylphenyl)propyl]carbamate
CID 170831737
tert-butyl N-[4-(2,3-difluoro-4-methoxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171885197
tert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate
CID 103387299
tert-butyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831671
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
tert-butyl N-[2-[(4-fluoro-3-methylphenyl)methylamino]butyl]carbamate
CID 107251345

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,3-difluoro-4-methylphenyl)-2-(methylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,3-difluoro-4-methylphenyl)-2-(methylamino)ethyl]carbamate (CID 170910503) is tert-butyl N-[2-(2,3-difluoro-4-methylphenyl)-2-(methylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,3-difluoro-4-methylphenyl)-2-(methylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,3-difluoro-4-methylphenyl)-2-(methylamino)ethyl]carbamate is CNC(CNC(=O)OC(C)(C)C)c1ccc(C)c(F)c1F.
What is the InChIKey of tert-butyl N-[2-(2,3-difluoro-4-methylphenyl)-2-(methylamino)ethyl]carbamate?
The InChIKey is IUXZNLRGJANYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-9-6-7-10(13(17)12(9)16)11(18-5)8-19-14(20)21-15(2,3)4/h6-7,11,18H,8H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[2-(2,3-difluoro-4-methylphenyl)-2-(methylamino)ethyl]carbamate?
tert-butyl N-[2-(2,3-difluoro-4-methylphenyl)-2-(methylamino)ethyl]carbamate has a molecular weight of 300.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2,3-difluoro-4-methylphenyl)-2-(methylamino)ethyl]carbamate is sourced from PubChem (CID 170910503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).