tert-butyl N-[2-[1-(2,4-dibromophenyl)ethylamino]propyl]carbamate

C16H24Br2N2O2 — CID 107248228

IUPACtert-butyl N-[2-[1-(2,4-dibromophenyl)ethylamino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC(C)c1ccc(Br)cc1Br
InChIInChI=1S/C16H24Br2N2O2/c1-10(9-19-15(21)22-16(3,4)5)20-11(2)13-7-6-12(17)8-14(13)18/h6-8,10-11,20H,9H2,1-5H3,(H,19,21)
InChIKeyDSBJWKVOTDJEBP-UHFFFAOYSA-N
MW436.19 g/mol
LogP4.78
Rot. Bonds5

About tert-butyl N-[2-[1-(2,4-dibromophenyl)ethylamino]propyl]carbamate

tert-butyl N-[2-[1-(2,4-dibromophenyl)ethylamino]propyl]carbamate (PubChem CID 107248228) has the molecular formula C16H24Br2N2O2 and a molecular weight of 436.19 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(2,4-dibromophenyl)ethylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(2,4-dibromophenyl)ethylamino]propyl]carbamate
PubChem CID107248228
Molecular FormulaC16H24Br2N2O2
Molecular Weight436.19 g/mol
Exact Mass434.02
IUPAC Nametert-butyl N-[2-[1-(2,4-dibromophenyl)ethylamino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC(C)c1ccc(Br)cc1Br
InChIInChI=1S/C16H24Br2N2O2/c1-10(9-19-15(21)22-16(3,4)5)20-11(2)13-7-6-12(17)8-14(13)18/h6-8,10-11,20H,9H2,1-5H3,(H,19,21)
InChIKeyDSBJWKVOTDJEBP-UHFFFAOYSA-N
XLogP4.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.19
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]propyl]carbamate
CID 103390521
tert-butyl N-[2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]propyl]carbamate
CID 107248495
tert-butyl N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]butyl]carbamate
CID 107251064
tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate
CID 103390508
tert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate
CID 107248220
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
tert-butyl N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]propyl]carbamate
CID 103388164
tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate
CID 107248584
N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine
CID 60781142
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate
CID 103388764
tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate
CID 103388158

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(2,4-dibromophenyl)ethylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(2,4-dibromophenyl)ethylamino]propyl]carbamate (CID 107248228) is tert-butyl N-[2-[1-(2,4-dibromophenyl)ethylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(2,4-dibromophenyl)ethylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(2,4-dibromophenyl)ethylamino]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NC(C)c1ccc(Br)cc1Br.
What is the InChIKey of tert-butyl N-[2-[1-(2,4-dibromophenyl)ethylamino]propyl]carbamate?
The InChIKey is DSBJWKVOTDJEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Br2N2O2/c1-10(9-19-15(21)22-16(3,4)5)20-11(2)13-7-6-12(17)8-14(13)18/h6-8,10-11,20H,9H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[1-(2,4-dibromophenyl)ethylamino]propyl]carbamate?
tert-butyl N-[2-[1-(2,4-dibromophenyl)ethylamino]propyl]carbamate has a molecular weight of 436.19 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(2,4-dibromophenyl)ethylamino]propyl]carbamate is sourced from PubChem (CID 107248228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).