tert-butyl N-[1-[(3,4-dibromophenyl)methylamino]-2-methylpropan-2-yl]carbamate

C16H24Br2N2O2 — CID 107249883

IUPACtert-butyl N-[1-[(3,4-dibromophenyl)methylamino]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(CNCc1ccc(Br)c(Br)c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H24Br2N2O2/c1-15(2,3)22-14(21)20-16(4,5)10-19-9-11-6-7-12(17)13(18)8-11/h6-8,19H,9-10H2,1-5H3,(H,20,21)
InChIKeyFIIYUCJCQXWKRY-UHFFFAOYSA-N
MW436.19 g/mol
LogP4.60
Rot. Bonds5

About tert-butyl N-[1-[(3,4-dibromophenyl)methylamino]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[(3,4-dibromophenyl)methylamino]-2-methylpropan-2-yl]carbamate (PubChem CID 107249883) has the molecular formula C16H24Br2N2O2 and a molecular weight of 436.19 g/mol. Its IUPAC name is tert-butyl N-[1-[(3,4-dibromophenyl)methylamino]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(3,4-dibromophenyl)methylamino]-2-methylpropan-2-yl]carbamate
PubChem CID107249883
Molecular FormulaC16H24Br2N2O2
Molecular Weight436.19 g/mol
Exact Mass434.02
IUPAC Nametert-butyl N-[1-[(3,4-dibromophenyl)methylamino]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(CNCc1ccc(Br)c(Br)c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H24Br2N2O2/c1-15(2,3)22-14(21)20-16(4,5)10-19-9-11-6-7-12(17)13(18)8-11/h6-8,19H,9-10H2,1-5H3,(H,20,21)
InChIKeyFIIYUCJCQXWKRY-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]methyl]benzoic acid
CID 107249964
tert-butyl N-[3-[(3-bromo-4-fluorophenyl)methylamino]-2,2-difluoropropyl]carbamate
CID 107257334
3-(3,4-dibromophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 171703053
tert-butyl N-[1-[(3-carbamoylphenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 103740263
tert-butyl N-[2-[(3-bromo-4-hydroxyphenyl)methylamino]ethyl]carbamate
CID 103778467
tert-butyl N-[1-[(2,4-dichlorophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 107249857
tert-butyl N-[2-[(3-bromo-4-hydroxyphenyl)methylamino]-2-methylpropyl]carbamate
CID 107249155
tert-butyl N-[2-[(3,4-dibromophenyl)methylamino]ethyl]-N-propylcarbamate
CID 107246041
N-[(3,4-dibromophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 115693255
tert-butyl N-[2-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpropyl]carbamate
CID 107249263
tert-butyl N-[4-[[(4-bromo-3-chlorophenyl)methylamino]methyl]phenyl]carbamate
CID 114076676
tert-butyl N-[(2S,3R)-4-[(3,4-dibromophenyl)methylamino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate
CID 58909285

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(3,4-dibromophenyl)methylamino]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(3,4-dibromophenyl)methylamino]-2-methylpropan-2-yl]carbamate (CID 107249883) is tert-butyl N-[1-[(3,4-dibromophenyl)methylamino]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(3,4-dibromophenyl)methylamino]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(3,4-dibromophenyl)methylamino]-2-methylpropan-2-yl]carbamate is CC(C)(CNCc1ccc(Br)c(Br)c1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(3,4-dibromophenyl)methylamino]-2-methylpropan-2-yl]carbamate?
The InChIKey is FIIYUCJCQXWKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Br2N2O2/c1-15(2,3)22-14(21)20-16(4,5)10-19-9-11-6-7-12(17)13(18)8-11/h6-8,19H,9-10H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[1-[(3,4-dibromophenyl)methylamino]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[(3,4-dibromophenyl)methylamino]-2-methylpropan-2-yl]carbamate has a molecular weight of 436.19 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(3,4-dibromophenyl)methylamino]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 107249883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).