tert-butyl N-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]carbamate

C16H24F2N2O3 — CID 103387484

IUPACtert-butyl N-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCc1ccccc1OC(F)F
InChIInChI=1S/C16H24F2N2O3/c1-11(9-20-15(21)23-16(2,3)4)19-10-12-7-5-6-8-13(12)22-14(17)18/h5-8,11,14,19H,9-10H2,1-4H3,(H,20,21)
InChIKeyZHTOSNAMFZBHJQ-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.29
Rot. Bonds7

About tert-butyl N-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]carbamate

tert-butyl N-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]carbamate (PubChem CID 103387484) has the molecular formula C16H24F2N2O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]carbamate
PubChem CID103387484
Molecular FormulaC16H24F2N2O3
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Nametert-butyl N-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCc1ccccc1OC(F)F
InChIInChI=1S/C16H24F2N2O3/c1-11(9-20-15(21)23-16(2,3)4)19-10-12-7-5-6-8-13(12)22-14(17)18/h5-8,11,14,19H,9-10H2,1-4H3,(H,20,21)
InChIKeyZHTOSNAMFZBHJQ-UHFFFAOYSA-N
XLogP3.29
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]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-[(2-cyanophenyl)methylamino]propyl]carbamate
CID 107936041
tert-butyl N-[2-(naphthalen-1-ylmethylamino)propyl]carbamate
CID 103389782
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590
N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
tert-butyl N-[2-[(3-chloro-2-hydroxyphenyl)methylamino]propyl]carbamate
CID 107248591
tert-butyl N-[2-[(4-fluorophenyl)methylamino]propyl]carbamate
CID 103387257
N-[[2-(difluoromethoxy)phenyl]methyl]-1-ethylsulfonylpropan-2-amine
CID 115626137
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
CID 28651324
tert-butyl N-[2-(quinolin-4-ylmethylamino)propyl]carbamate
CID 107248566
tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate
CID 103390582
N-[[2-(difluoromethoxy)phenyl]methyl]-6,6,6-trifluorohexan-2-amine
CID 116534105
tert-butyl N-[2-[[4-(difluoromethyl)phenyl]methylamino]propyl]carbamate
CID 107248199

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]carbamate (CID 103387484) is tert-butyl N-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NCc1ccccc1OC(F)F.
What is the InChIKey of tert-butyl N-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]carbamate?
The InChIKey is ZHTOSNAMFZBHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O3/c1-11(9-20-15(21)23-16(2,3)4)19-10-12-7-5-6-8-13(12)22-14(17)18/h5-8,11,14,19H,9-10H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]carbamate?
tert-butyl N-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]carbamate has a molecular weight of 330.38 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]carbamate is sourced from PubChem (CID 103387484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).