tert-butyl N-(2-amino-1-phenylethyl)carbamate

C13H20N2O2 — CID 16740609

IUPACtert-butyl N-(2-amino-1-phenylethyl)carbamate
SMILESCC(C)(C)OC(=O)NC(CN)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-11(9-14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3,(H,15,16)
InChIKeyIJALRZPKODHZOR-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.21
Rot. Bonds3

About tert-butyl N-(2-amino-1-phenylethyl)carbamate

tert-butyl N-(2-amino-1-phenylethyl)carbamate (PubChem CID 16740609) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is tert-butyl N-(2-amino-1-phenylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-1-phenylethyl)carbamate
PubChem CID16740609
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nametert-butyl N-(2-amino-1-phenylethyl)carbamate
SMILESCC(C)(C)OC(=O)NC(CN)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-11(9-14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3,(H,15,16)
InChIKeyIJALRZPKODHZOR-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Iprovalicarb
CID 10958189
Ethyl benzylcarbamate
CID 75801
ethyl N-(2-phenylethyl)carbamate
CID 247630
propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate
CID 16212118
(9-Benzyl-9-aza-bicyclo[3.3.1]non-3-yl)-carbamic acid tert-butyl ester
CID 3217175
2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid
CID 209462
methyl N-benzylcarbamate
CID 232620
Tert-butyl 4-benzylpiperazine-1-carboxylate
CID 584330
tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate
CID 2756043
tert-Butyl Benzylcarbamate
CID 4615331
4-Boc-aminomethyl-benzonitrile
CID 10799583
tert-butyl N-[(S)-[(cyanomethyl)carbamoyl](phenyl)methyl]carbamate
CID 11659287

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-1-phenylethyl)carbamate?
The IUPAC name of tert-butyl N-(2-amino-1-phenylethyl)carbamate (CID 16740609) is tert-butyl N-(2-amino-1-phenylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-amino-1-phenylethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-amino-1-phenylethyl)carbamate is CC(C)(C)OC(=O)NC(CN)c1ccccc1.
What is the InChIKey of tert-butyl N-(2-amino-1-phenylethyl)carbamate?
The InChIKey is IJALRZPKODHZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-11(9-14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-(2-amino-1-phenylethyl)carbamate?
tert-butyl N-(2-amino-1-phenylethyl)carbamate has a molecular weight of 236.31 g/mol, XLogP of 2.21, 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-phenylethyl)carbamate is sourced from PubChem (CID 16740609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).