tert-butyl N-[2-amino-2-(2-fluorophenyl)ethyl]-N-methylcarbamate

C14H21FN2O2 — CID 116861240

IUPACtert-butyl N-[2-amino-2-(2-fluorophenyl)ethyl]-N-methylcarbamate
SMILESCN(CC(N)c1ccccc1F)C(=O)OC(C)(C)C
InChIInChI=1S/C14H21FN2O2/c1-14(2,3)19-13(18)17(4)9-12(16)10-7-5-6-8-11(10)15/h5-8,12H,9,16H2,1-4H3
InChIKeyDLZAYBHRMUNNJU-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.69
Rot. Bonds3

About tert-butyl N-[2-amino-2-(2-fluorophenyl)ethyl]-N-methylcarbamate

tert-butyl N-[2-amino-2-(2-fluorophenyl)ethyl]-N-methylcarbamate (PubChem CID 116861240) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is tert-butyl N-[2-amino-2-(2-fluorophenyl)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-2-(2-fluorophenyl)ethyl]-N-methylcarbamate
PubChem CID116861240
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Nametert-butyl N-[2-amino-2-(2-fluorophenyl)ethyl]-N-methylcarbamate
SMILESCN(CC(N)c1ccccc1F)C(=O)OC(C)(C)C
InChIInChI=1S/C14H21FN2O2/c1-14(2,3)19-13(18)17(4)9-12(16)10-7-5-6-8-11(10)15/h5-8,12H,9,16H2,1-4H3
InChIKeyDLZAYBHRMUNNJU-UHFFFAOYSA-N
XLogP2.69
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-amino-2-phenylethyl)-N-methylcarbamate
CID 67066123
tert-butyl N-[3-[1-(2-fluorophenyl)propylamino]propyl]-N-methylcarbamate
CID 107242068
tert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate
CID 105481712
[4-[1-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl] 2-(2-fluorophenyl)acetate
CID 67439101
(3S,4S)-3-amino-4-(2-fluorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 95170386
tert-butyl N-[2-(2,4-difluorophenyl)butyl]-N-methylcarbamate
CID 145296649
ethyl (3S)-3-amino-3-(2-fluorophenyl)propanoate
CID 723062
tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523
tert-butyl N-[3-[[N-[(2-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]-2-methylpropyl]-N-methylcarbamate;hydroiodide
CID 111783622
2-(fluoromethyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 105495939
1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine
CID 16791201
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-2-(2-fluorophenyl)ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-amino-2-(2-fluorophenyl)ethyl]-N-methylcarbamate (CID 116861240) is tert-butyl N-[2-amino-2-(2-fluorophenyl)ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-amino-2-(2-fluorophenyl)ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-amino-2-(2-fluorophenyl)ethyl]-N-methylcarbamate is CN(CC(N)c1ccccc1F)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-amino-2-(2-fluorophenyl)ethyl]-N-methylcarbamate?
The InChIKey is DLZAYBHRMUNNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-14(2,3)19-13(18)17(4)9-12(16)10-7-5-6-8-11(10)15/h5-8,12H,9,16H2,1-4H3.
What are the key properties of tert-butyl N-[2-amino-2-(2-fluorophenyl)ethyl]-N-methylcarbamate?
tert-butyl N-[2-amino-2-(2-fluorophenyl)ethyl]-N-methylcarbamate has a molecular weight of 268.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-amino-2-(2-fluorophenyl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 116861240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).