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

C17H26F2N2O2 — CID 107251325

IUPACtert-butyl N-[2-[1-(2,5-difluorophenyl)ethylamino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C17H26F2N2O2/c1-6-13(10-20-16(22)23-17(3,4)5)21-11(2)14-9-12(18)7-8-15(14)19/h7-9,11,13,21H,6,10H2,1-5H3,(H,20,22)
InChIKeyFHZSFIYJUYZPLC-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.92
Rot. Bonds6

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

tert-butyl N-[2-[1-(2,5-difluorophenyl)ethylamino]butyl]carbamate (PubChem CID 107251325) has the molecular formula C17H26F2N2O2 and a molecular weight of 328.40 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(2,5-difluorophenyl)ethylamino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(2,5-difluorophenyl)ethylamino]butyl]carbamate
PubChem CID107251325
Molecular FormulaC17H26F2N2O2
Molecular Weight328.40 g/mol
Exact Mass328.20
IUPAC Nametert-butyl N-[2-[1-(2,5-difluorophenyl)ethylamino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C17H26F2N2O2/c1-6-13(10-20-16(22)23-17(3,4)5)21-11(2)14-9-12(18)7-8-15(14)19/h7-9,11,13,21H,6,10H2,1-5H3,(H,20,22)
InChIKeyFHZSFIYJUYZPLC-UHFFFAOYSA-N
XLogP3.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]butyl]carbamate
CID 107251064
tert-butyl N-[1-(2,5-difluorophenyl)ethyl]carbamate
CID 63787990
tert-butyl N-[2-[1-(2,6-difluorophenyl)ethylamino]butyl]carbamate
CID 107251177
tert-butyl N-[3-(2,5-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170831686
tert-butyl N-[2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]propyl]carbamate
CID 107248495
tert-butyl N-[2-[1-(2-fluorophenyl)ethylamino]pentyl]carbamate
CID 107253634
tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]butyl]carbamate
CID 107250837
tert-butyl N-[2-[1-(3-methylphenyl)ethylamino]butyl]carbamate
CID 107251337
tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate
CID 107251081
N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43674172
tert-butyl N-[3-amino-4-(2,5-difluorophenyl)-4-hydroxybutyl]carbamate
CID 83936067
tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate
CID 107248584

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(2,5-difluorophenyl)ethylamino]butyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(2,5-difluorophenyl)ethylamino]butyl]carbamate (CID 107251325) is tert-butyl N-[2-[1-(2,5-difluorophenyl)ethylamino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(2,5-difluorophenyl)ethylamino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(2,5-difluorophenyl)ethylamino]butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)NC(C)c1cc(F)ccc1F.
What is the InChIKey of tert-butyl N-[2-[1-(2,5-difluorophenyl)ethylamino]butyl]carbamate?
The InChIKey is FHZSFIYJUYZPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2O2/c1-6-13(10-20-16(22)23-17(3,4)5)21-11(2)14-9-12(18)7-8-15(14)19/h7-9,11,13,21H,6,10H2,1-5H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[1-(2,5-difluorophenyl)ethylamino]butyl]carbamate?
tert-butyl N-[2-[1-(2,5-difluorophenyl)ethylamino]butyl]carbamate has a molecular weight of 328.40 g/mol, XLogP of 3.92, 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-[1-(2,5-difluorophenyl)ethylamino]butyl]carbamate is sourced from PubChem (CID 107251325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).