tert-butyl N-[2-(2-bromophenyl)-2-(methylamino)ethyl]carbamate

C14H21BrN2O2 — CID 116861286

IUPACtert-butyl N-[2-(2-bromophenyl)-2-(methylamino)ethyl]carbamate
SMILESCNC(CNC(=O)OC(C)(C)C)c1ccccc1Br
InChIInChI=1S/C14H21BrN2O2/c1-14(2,3)19-13(18)17-9-12(16-4)10-7-5-6-8-11(10)15/h5-8,12,16H,9H2,1-4H3,(H,17,18)
InChIKeyXFVGPWPKDDVRMZ-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.23
Rot. Bonds4

About tert-butyl N-[2-(2-bromophenyl)-2-(methylamino)ethyl]carbamate

tert-butyl N-[2-(2-bromophenyl)-2-(methylamino)ethyl]carbamate (PubChem CID 116861286) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is tert-butyl N-[2-(2-bromophenyl)-2-(methylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-bromophenyl)-2-(methylamino)ethyl]carbamate
PubChem CID116861286
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Nametert-butyl N-[2-(2-bromophenyl)-2-(methylamino)ethyl]carbamate
SMILESCNC(CNC(=O)OC(C)(C)C)c1ccccc1Br
InChIInChI=1S/C14H21BrN2O2/c1-14(2,3)19-13(18)17-9-12(16-4)10-7-5-6-8-11(10)15/h5-8,12,16H,9H2,1-4H3,(H,17,18)
InChIKeyXFVGPWPKDDVRMZ-UHFFFAOYSA-N
XLogP3.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-(2-bromophenyl)-2-(methylamino)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(1S)-2-(2-bromophenyl)-1-[(cyanomethyl)carbamoyl]ethyl]carbamate
CID 11696621
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
(S)-tert-Butyl (1-amino-3-phenylpropan-2-yl)carbamate
CID 10422234
2-Bromo-N-(tert-butoxycarbonyl)benzylamine
CID 7018300
tert-butyl N-[(4-bromophenyl)methyl]carbamate
CID 12453839
N-Benzyl-N'-boc-ethylenediamine
CID 10634443
tert-Butyl 3-bromobenzylcarbamate
CID 11033439
tert-butyl N-(1-(4-bromophenyl)ethyl)carbamate
CID 11983730
tert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 15675183
tert-butyl N-(2-amino-1-phenylethyl)carbamate
CID 16740609
tert-butyl N-[2-(2-bromophenyl)ethyl]carbamate
CID 19433413
tert-Butyl 4-(bromomethyl)benzylcarbamate
CID 23447255

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-bromophenyl)-2-(methylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-bromophenyl)-2-(methylamino)ethyl]carbamate (CID 116861286) is tert-butyl N-[2-(2-bromophenyl)-2-(methylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-bromophenyl)-2-(methylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-bromophenyl)-2-(methylamino)ethyl]carbamate is CNC(CNC(=O)OC(C)(C)C)c1ccccc1Br.
What is the InChIKey of tert-butyl N-[2-(2-bromophenyl)-2-(methylamino)ethyl]carbamate?
The InChIKey is XFVGPWPKDDVRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-14(2,3)19-13(18)17-9-12(16-4)10-7-5-6-8-11(10)15/h5-8,12,16H,9H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(2-bromophenyl)-2-(methylamino)ethyl]carbamate?
tert-butyl N-[2-(2-bromophenyl)-2-(methylamino)ethyl]carbamate has a molecular weight of 329.24 g/mol, XLogP of 3.23, 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-bromophenyl)-2-(methylamino)ethyl]carbamate is sourced from PubChem (CID 116861286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).