tert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate

C16H23F3N2O2 — CID 103389858

IUPACtert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H23F3N2O2/c1-11(9-21-14(22)23-15(2,3)4)20-10-12-5-7-13(8-6-12)16(17,18)19/h5-8,11,20H,9-10H2,1-4H3,(H,21,22)
InChIKeyVRWMKXIPOZCICV-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.71
Rot. Bonds5

About tert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate

tert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate (PubChem CID 103389858) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is tert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate
PubChem CID103389858
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Nametert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H23F3N2O2/c1-11(9-21-14(22)23-15(2,3)4)20-10-12-5-7-13(8-6-12)16(17,18)19/h5-8,11,20H,9-10H2,1-4H3,(H,21,22)
InChIKeyVRWMKXIPOZCICV-UHFFFAOYSA-N
XLogP3.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(4-fluorophenyl)methylamino]propyl]carbamate
CID 103387257
tert-butyl N-[2-[[4-(difluoromethyl)phenyl]methylamino]propyl]carbamate
CID 107248199
tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate
CID 103387526
tert-butyl N-[2-[(3-chloro-4-methylphenyl)methylamino]propyl]carbamate
CID 107248269
tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate
CID 143988423
2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylamino]propanoic acid
CID 107244230
tert-butyl N-[2-[(3-chloro-5-fluorophenyl)methylamino]propyl]carbamate
CID 107248595
2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 43499702
tert-butyl N-[[4-[(hexan-2-ylamino)methyl]phenyl]methyl]carbamate
CID 107244289
tert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate
CID 103389891
tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate
CID 103389896
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate (CID 103389858) is tert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of tert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate?
The InChIKey is VRWMKXIPOZCICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-11(9-21-14(22)23-15(2,3)4)20-10-12-5-7-13(8-6-12)16(17,18)19/h5-8,11,20H,9-10H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate?
tert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate has a molecular weight of 332.37 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate is sourced from PubChem (CID 103389858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).