tert-butyl N-[2-[(2-bromo-4-methylphenyl)methylamino]cyclopropyl]carbamate

C16H23BrN2O2 — CID 107237817

IUPACtert-butyl N-[2-[(2-bromo-4-methylphenyl)methylamino]cyclopropyl]carbamate
SMILESCc1ccc(CNC2CC2NC(=O)OC(C)(C)C)c(Br)c1
InChIInChI=1S/C16H23BrN2O2/c1-10-5-6-11(12(17)7-10)9-18-13-8-14(13)19-15(20)21-16(2,3)4/h5-7,13-14,18H,8-9H2,1-4H3,(H,19,20)
InChIKeyWZOWVSIHZUYLSL-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.51
Rot. Bonds4

About tert-butyl N-[2-[(2-bromo-4-methylphenyl)methylamino]cyclopropyl]carbamate

tert-butyl N-[2-[(2-bromo-4-methylphenyl)methylamino]cyclopropyl]carbamate (PubChem CID 107237817) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-bromo-4-methylphenyl)methylamino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-bromo-4-methylphenyl)methylamino]cyclopropyl]carbamate
PubChem CID107237817
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Nametert-butyl N-[2-[(2-bromo-4-methylphenyl)methylamino]cyclopropyl]carbamate
SMILESCc1ccc(CNC2CC2NC(=O)OC(C)(C)C)c(Br)c1
InChIInChI=1S/C16H23BrN2O2/c1-10-5-6-11(12(17)7-10)9-18-13-8-14(13)19-15(20)21-16(2,3)4/h5-7,13-14,18H,8-9H2,1-4H3,(H,19,20)
InChIKeyWZOWVSIHZUYLSL-UHFFFAOYSA-N
XLogP3.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(2,5-dimethylphenyl)methylamino]cyclopropyl]carbamate
CID 107237951
tert-butyl N-[2-[(2-bromophenyl)methylamino]cyclopropyl]carbamate
CID 107237536
tert-butyl N-[2-[(3-bromo-4-chlorophenyl)methylamino]cyclopropyl]carbamate
CID 107238328
tert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate
CID 107237513
N-[(2-bromo-4-methylphenyl)methyl]-2-methylcyclopropan-1-amine
CID 115556760
tert-butyl N-[2-[(3,5-dichlorophenyl)methylamino]cyclopropyl]carbamate
CID 107238188
tert-butyl N-[2-[(5-bromothiophen-2-yl)methylamino]cyclopropyl]carbamate
CID 107238273
tert-butyl N-[2-[(6-hydroxy-1,3-benzodioxol-5-yl)methylamino]cyclopropyl]carbamate
CID 107238105
tert-butyl N-[2-[(4-fluorophenyl)methylamino]cyclopropyl]carbamate
CID 107237946
4-[[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]amino]methyl]benzoic acid
CID 107238255
tert-butyl N-[2-[(3-chloro-4-methoxyphenyl)methylamino]cyclopropyl]carbamate
CID 107238102
tert-butyl N-[2-[(3,4,5-trifluorophenyl)methylamino]cyclopropyl]carbamate
CID 107238083

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-bromo-4-methylphenyl)methylamino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-bromo-4-methylphenyl)methylamino]cyclopropyl]carbamate (CID 107237817) is tert-butyl N-[2-[(2-bromo-4-methylphenyl)methylamino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-bromo-4-methylphenyl)methylamino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-bromo-4-methylphenyl)methylamino]cyclopropyl]carbamate is Cc1ccc(CNC2CC2NC(=O)OC(C)(C)C)c(Br)c1.
What is the InChIKey of tert-butyl N-[2-[(2-bromo-4-methylphenyl)methylamino]cyclopropyl]carbamate?
The InChIKey is WZOWVSIHZUYLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-10-5-6-11(12(17)7-10)9-18-13-8-14(13)19-15(20)21-16(2,3)4/h5-7,13-14,18H,8-9H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[2-[(2-bromo-4-methylphenyl)methylamino]cyclopropyl]carbamate?
tert-butyl N-[2-[(2-bromo-4-methylphenyl)methylamino]cyclopropyl]carbamate has a molecular weight of 355.28 g/mol, XLogP of 3.51, 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-bromo-4-methylphenyl)methylamino]cyclopropyl]carbamate is sourced from PubChem (CID 107237817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).