tert-butyl N-[3-amino-4-(2,5-difluorophenyl)-4-hydroxybutyl]carbamate

C15H22F2N2O3 — CID 83936067

IUPACtert-butyl N-[3-amino-4-(2,5-difluorophenyl)-4-hydroxybutyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(N)C(O)c1cc(F)ccc1F
InChIInChI=1S/C15H22F2N2O3/c1-15(2,3)22-14(21)19-7-6-12(18)13(20)10-8-9(16)4-5-11(10)17/h4-5,8,12-13,20H,6-7,18H2,1-3H3,(H,19,21)
InChIKeyQYLZPWJDUKBSIO-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.24
Rot. Bonds5

About tert-butyl N-[3-amino-4-(2,5-difluorophenyl)-4-hydroxybutyl]carbamate

tert-butyl N-[3-amino-4-(2,5-difluorophenyl)-4-hydroxybutyl]carbamate (PubChem CID 83936067) has the molecular formula C15H22F2N2O3 and a molecular weight of 316.35 g/mol. Its IUPAC name is tert-butyl N-[3-amino-4-(2,5-difluorophenyl)-4-hydroxybutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-4-(2,5-difluorophenyl)-4-hydroxybutyl]carbamate
PubChem CID83936067
Molecular FormulaC15H22F2N2O3
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Nametert-butyl N-[3-amino-4-(2,5-difluorophenyl)-4-hydroxybutyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(N)C(O)c1cc(F)ccc1F
InChIInChI=1S/C15H22F2N2O3/c1-15(2,3)22-14(21)19-7-6-12(18)13(20)10-8-9(16)4-5-11(10)17/h4-5,8,12-13,20H,6-7,18H2,1-3H3,(H,19,21)
InChIKeyQYLZPWJDUKBSIO-UHFFFAOYSA-N
XLogP2.24
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(2,5-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170831686
tert-butyl N-[3-amino-4-(2,4-dimethylphenyl)-4-hydroxybutyl]carbamate
CID 83928007
tert-butyl N-[3-amino-4-(3-chlorophenyl)-4-hydroxybutyl]carbamate
CID 83924561
tert-butyl N-[2-amino-2-(2,4-difluorophenyl)ethyl]carbamate;hydrochloride
CID 76853764
tert-butyl N-[3-amino-4-hydroxy-4-(3-hydroxyphenyl)butyl]carbamate
CID 83930271
tert-butyl N-(3-amino-4-hydroxy-4-thiophen-3-ylbutyl)carbamate
CID 83927676
tert-butyl N-[1-(2,5-difluorophenyl)ethyl]carbamate
CID 63787990
N-[4-(2,5-difluorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882620
tert-butyl N-[2-[1-(2,5-difluorophenyl)ethylamino]butyl]carbamate
CID 107251325
tert-butyl N-[3-[(2,5-difluorophenyl)methyl]-4-hydroxybutyl]carbamate
CID 139293274
tert-butyl N-[3-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate
CID 146196773
tert-butyl N-[4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884447

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-4-(2,5-difluorophenyl)-4-hydroxybutyl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-4-(2,5-difluorophenyl)-4-hydroxybutyl]carbamate (CID 83936067) is tert-butyl N-[3-amino-4-(2,5-difluorophenyl)-4-hydroxybutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-4-(2,5-difluorophenyl)-4-hydroxybutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-4-(2,5-difluorophenyl)-4-hydroxybutyl]carbamate is CC(C)(C)OC(=O)NCCC(N)C(O)c1cc(F)ccc1F.
What is the InChIKey of tert-butyl N-[3-amino-4-(2,5-difluorophenyl)-4-hydroxybutyl]carbamate?
The InChIKey is QYLZPWJDUKBSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O3/c1-15(2,3)22-14(21)19-7-6-12(18)13(20)10-8-9(16)4-5-11(10)17/h4-5,8,12-13,20H,6-7,18H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[3-amino-4-(2,5-difluorophenyl)-4-hydroxybutyl]carbamate?
tert-butyl N-[3-amino-4-(2,5-difluorophenyl)-4-hydroxybutyl]carbamate has a molecular weight of 316.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-amino-4-(2,5-difluorophenyl)-4-hydroxybutyl]carbamate is sourced from PubChem (CID 83936067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).