tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate

C16H24F2N2O2 — CID 107248584

IUPACtert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC(C)c1cc(F)cc(F)c1
InChIInChI=1S/C16H24F2N2O2/c1-10(9-19-15(21)22-16(3,4)5)20-11(2)12-6-13(17)8-14(18)7-12/h6-8,10-11,20H,9H2,1-5H3,(H,19,21)
InChIKeyRSRMTNBVBRPYEO-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.53
Rot. Bonds5

About tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate

tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate (PubChem CID 107248584) has the molecular formula C16H24F2N2O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate
PubChem CID107248584
Molecular FormulaC16H24F2N2O2
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Nametert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC(C)c1cc(F)cc(F)c1
InChIInChI=1S/C16H24F2N2O2/c1-10(9-19-15(21)22-16(3,4)5)20-11(2)12-6-13(17)8-14(18)7-12/h6-8,10-11,20H,9H2,1-5H3,(H,19,21)
InChIKeyRSRMTNBVBRPYEO-UHFFFAOYSA-N
XLogP3.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]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-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate
CID 103390485
tert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate
CID 107248220
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
tert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate
CID 103390477
tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate
CID 70806696
tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate
CID 107248141
tert-butyl N-[2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]propyl]carbamate
CID 107248495
tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate
CID 103388764
tert-butyl N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propyl]carbamate
CID 107248301
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate
CID 103390508
tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]butyl]carbamate
CID 107250837

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate (CID 107248584) is tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NC(C)c1cc(F)cc(F)c1.
What is the InChIKey of tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate?
The InChIKey is RSRMTNBVBRPYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O2/c1-10(9-19-15(21)22-16(3,4)5)20-11(2)12-6-13(17)8-14(18)7-12/h6-8,10-11,20H,9H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate?
tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate has a molecular weight of 314.38 g/mol, XLogP of 3.53, 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-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate is sourced from PubChem (CID 107248584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).