tert-butyl N-[2-[(3-bromophenyl)methylamino]-2-cyclopropylpropyl]carbamate

C18H27BrN2O2 — CID 107252087

IUPACtert-butyl N-[2-[(3-bromophenyl)methylamino]-2-cyclopropylpropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(NCc1cccc(Br)c1)C1CC1
InChIInChI=1S/C18H27BrN2O2/c1-17(2,3)23-16(22)20-12-18(4,14-8-9-14)21-11-13-6-5-7-15(19)10-13/h5-7,10,14,21H,8-9,11-12H2,1-4H3,(H,20,22)
InChIKeyFVFHIASHHZCPNZ-UHFFFAOYSA-N
MW383.33 g/mol
LogP4.23
Rot. Bonds6

About tert-butyl N-[2-[(3-bromophenyl)methylamino]-2-cyclopropylpropyl]carbamate

tert-butyl N-[2-[(3-bromophenyl)methylamino]-2-cyclopropylpropyl]carbamate (PubChem CID 107252087) has the molecular formula C18H27BrN2O2 and a molecular weight of 383.33 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-bromophenyl)methylamino]-2-cyclopropylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-bromophenyl)methylamino]-2-cyclopropylpropyl]carbamate
PubChem CID107252087
Molecular FormulaC18H27BrN2O2
Molecular Weight383.33 g/mol
Exact Mass382.13
IUPAC Nametert-butyl N-[2-[(3-bromophenyl)methylamino]-2-cyclopropylpropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(NCc1cccc(Br)c1)C1CC1
InChIInChI=1S/C18H27BrN2O2/c1-17(2,3)23-16(22)20-12-18(4,14-8-9-14)21-11-13-6-5-7-15(19)10-13/h5-7,10,14,21H,8-9,11-12H2,1-4H3,(H,20,22)
InChIKeyFVFHIASHHZCPNZ-UHFFFAOYSA-N
XLogP4.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-[(3-bromophenyl)methylamino]-2-cyclopropylpropyl]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-[2-cyclopropyl-2-(ethylamino)propyl]carbamate
CID 103790492
tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate
CID 124509244
tert-butyl N-[3-[(3-bromophenyl)methylamino]cyclobutyl]carbamate
CID 80560677
tert-butyl N-[2-[(3-bromophenyl)methylamino]-3-methylbutyl]carbamate
CID 107253972
tert-butyl N-[2-cyclopropyl-2-(1H-pyrazol-5-ylmethylamino)propyl]carbamate
CID 103740233
tert-butyl 4-[(3-bromophenyl)methylamino]piperidine-1-carboxylate;ethane
CID 143006069
tert-butyl N-[2-cyclopropyl-2-[(2-nitrophenyl)methylamino]propyl]carbamate
CID 113256670
tert-butyl N-[2-cyclopropyl-2-[(5-methyl-2-pyridinyl)methylamino]propyl]carbamate
CID 103768694
tert-butyl N-[2-cyclopropyl-2-(pyrimidin-4-ylmethylamino)propyl]carbamate
CID 107252088
tert-butyl N-[2-[[N-[(3-bromophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111883466
tert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate
CID 103790504
tert-butyl N-[2-[(3-bromophenyl)methylamino]pentyl]carbamate
CID 107253486

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-bromophenyl)methylamino]-2-cyclopropylpropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-bromophenyl)methylamino]-2-cyclopropylpropyl]carbamate (CID 107252087) is tert-butyl N-[2-[(3-bromophenyl)methylamino]-2-cyclopropylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-bromophenyl)methylamino]-2-cyclopropylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-bromophenyl)methylamino]-2-cyclopropylpropyl]carbamate is CC(C)(C)OC(=O)NCC(C)(NCc1cccc(Br)c1)C1CC1.
What is the InChIKey of tert-butyl N-[2-[(3-bromophenyl)methylamino]-2-cyclopropylpropyl]carbamate?
The InChIKey is FVFHIASHHZCPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O2/c1-17(2,3)23-16(22)20-12-18(4,14-8-9-14)21-11-13-6-5-7-15(19)10-13/h5-7,10,14,21H,8-9,11-12H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[(3-bromophenyl)methylamino]-2-cyclopropylpropyl]carbamate?
tert-butyl N-[2-[(3-bromophenyl)methylamino]-2-cyclopropylpropyl]carbamate has a molecular weight of 383.33 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-bromophenyl)methylamino]-2-cyclopropylpropyl]carbamate is sourced from PubChem (CID 107252087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).