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

C15H21BrN2O2 — CID 107237536

IUPACtert-butyl N-[2-[(2-bromophenyl)methylamino]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1NCc1ccccc1Br
InChIInChI=1S/C15H21BrN2O2/c1-15(2,3)20-14(19)18-13-8-12(13)17-9-10-6-4-5-7-11(10)16/h4-7,12-13,17H,8-9H2,1-3H3,(H,18,19)
InChIKeyYRHQQICTBIBPAD-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.20
Rot. Bonds4

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

tert-butyl N-[2-[(2-bromophenyl)methylamino]cyclopropyl]carbamate (PubChem CID 107237536) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-bromophenyl)methylamino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-bromophenyl)methylamino]cyclopropyl]carbamate
PubChem CID107237536
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Nametert-butyl N-[2-[(2-bromophenyl)methylamino]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1NCc1ccccc1Br
InChIInChI=1S/C15H21BrN2O2/c1-15(2,3)20-14(19)18-13-8-12(13)17-9-10-6-4-5-7-11(10)16/h4-7,12-13,17H,8-9H2,1-3H3,(H,18,19)
InChIKeyYRHQQICTBIBPAD-UHFFFAOYSA-N
XLogP3.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate
CID 107237513
tert-butyl N-[2-[(2-bromo-4-methylphenyl)methylamino]cyclopropyl]carbamate
CID 107237817
tert-butyl N-[2-[(3-bromo-4-chlorophenyl)methylamino]cyclopropyl]carbamate
CID 107238328
tert-butyl N-[2-[(2,5-dimethylphenyl)methylamino]cyclopropyl]carbamate
CID 107237951
tert-butyl N-[2-[(5-bromothiophen-2-yl)methylamino]cyclopropyl]carbamate
CID 107238273
tert-butyl N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 107239083
tert-butyl N-[2-[(3,5-dichlorophenyl)methylamino]cyclopropyl]carbamate
CID 107238188
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-(2-phenylpropylamino)cyclopropyl]carbamate
CID 107238153
tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 104844649
tert-butyl N-[2-(1H-pyrrol-3-ylmethylamino)cyclopropyl]carbamate
CID 107237802

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-bromophenyl)methylamino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-bromophenyl)methylamino]cyclopropyl]carbamate (CID 107237536) is tert-butyl N-[2-[(2-bromophenyl)methylamino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-bromophenyl)methylamino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-bromophenyl)methylamino]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1CC1NCc1ccccc1Br.
What is the InChIKey of tert-butyl N-[2-[(2-bromophenyl)methylamino]cyclopropyl]carbamate?
The InChIKey is YRHQQICTBIBPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-15(2,3)20-14(19)18-13-8-12(13)17-9-10-6-4-5-7-11(10)16/h4-7,12-13,17H,8-9H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[2-[(2-bromophenyl)methylamino]cyclopropyl]carbamate?
tert-butyl N-[2-[(2-bromophenyl)methylamino]cyclopropyl]carbamate has a molecular weight of 341.25 g/mol, XLogP of 3.20, 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)methylamino]cyclopropyl]carbamate is sourced from PubChem (CID 107237536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).