tert-butyl N-[2-amino-1-(2,4-difluorophenyl)ethyl]carbamate

C13H18F2N2O2 — CID 24688788

IUPACtert-butyl N-[2-amino-1-(2,4-difluorophenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CN)c1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O2/c1-13(2,3)19-12(18)17-11(7-16)9-5-4-8(14)6-10(9)15/h4-6,11H,7,16H2,1-3H3,(H,17,18)
InChIKeyLZPQJWNVGUJWOO-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.49
Rot. Bonds3

About tert-butyl N-[2-amino-1-(2,4-difluorophenyl)ethyl]carbamate

tert-butyl N-[2-amino-1-(2,4-difluorophenyl)ethyl]carbamate (PubChem CID 24688788) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is tert-butyl N-[2-amino-1-(2,4-difluorophenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-1-(2,4-difluorophenyl)ethyl]carbamate
PubChem CID24688788
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Nametert-butyl N-[2-amino-1-(2,4-difluorophenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CN)c1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O2/c1-13(2,3)19-12(18)17-11(7-16)9-5-4-8(14)6-10(9)15/h4-6,11H,7,16H2,1-3H3,(H,17,18)
InChIKeyLZPQJWNVGUJWOO-UHFFFAOYSA-N
XLogP2.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-amino-1-(2,4-difluorophenyl)ethyl]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-((3-(aminomethyl)phenyl)methyl)carbamate
CID 2756043
tert-Butyl Benzylcarbamate
CID 4615331
Tert-Butyl {(2s)-1-[formyl(Hydroxy)amino]-3-Phenylpropan-2-Yl}carbamate
CID 9835766
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
(1-Hydroxycarbamoylmethyl-2-phenylethyl)carbamic acidtert-butyl ester
CID 44418815
tert-butyl N-((2-methylphenyl)methyl)carbamate
CID 826765
tert-butyl (3R)-3-phenylpiperazine-1-carboxylate
CID 7015616
2,2,2-trifluoroethyl N-benzylcarbamate
CID 9397960
(S)-tert-Butyl (1-amino-3-phenylpropan-2-yl)carbamate
CID 10422234
tert-butyl N-{[4-(aminomethyl)phenyl]methyl}carbamate
CID 3354775
tert-butyl N-(2-phenylethyl)carbamate
CID 3541750
[2-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-carbamic acid methyl ester
CID 44404577

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-1-(2,4-difluorophenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-amino-1-(2,4-difluorophenyl)ethyl]carbamate (CID 24688788) is tert-butyl N-[2-amino-1-(2,4-difluorophenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-amino-1-(2,4-difluorophenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-amino-1-(2,4-difluorophenyl)ethyl]carbamate is CC(C)(C)OC(=O)NC(CN)c1ccc(F)cc1F.
What is the InChIKey of tert-butyl N-[2-amino-1-(2,4-difluorophenyl)ethyl]carbamate?
The InChIKey is LZPQJWNVGUJWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-13(2,3)19-12(18)17-11(7-16)9-5-4-8(14)6-10(9)15/h4-6,11H,7,16H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[2-amino-1-(2,4-difluorophenyl)ethyl]carbamate?
tert-butyl N-[2-amino-1-(2,4-difluorophenyl)ethyl]carbamate has a molecular weight of 272.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-amino-1-(2,4-difluorophenyl)ethyl]carbamate is sourced from PubChem (CID 24688788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).