tert-butyl N-[2-amino-1-(4-hydroxy-3-methoxyphenyl)ethyl]-N-methylcarbamate

C15H24N2O4 — CID 82023522

IUPACtert-butyl N-[2-amino-1-(4-hydroxy-3-methoxyphenyl)ethyl]-N-methylcarbamate
SMILESCOc1cc(C(CN)N(C)C(=O)OC(C)(C)C)ccc1O
InChIInChI=1S/C15H24N2O4/c1-15(2,3)21-14(19)17(4)11(9-16)10-6-7-12(18)13(8-10)20-5/h6-8,11,18H,9,16H2,1-5H3
InChIKeyJQJRWJHGZPHRLA-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.27
Rot. Bonds4

About tert-butyl N-[2-amino-1-(4-hydroxy-3-methoxyphenyl)ethyl]-N-methylcarbamate

tert-butyl N-[2-amino-1-(4-hydroxy-3-methoxyphenyl)ethyl]-N-methylcarbamate (PubChem CID 82023522) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl N-[2-amino-1-(4-hydroxy-3-methoxyphenyl)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-1-(4-hydroxy-3-methoxyphenyl)ethyl]-N-methylcarbamate
PubChem CID82023522
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl N-[2-amino-1-(4-hydroxy-3-methoxyphenyl)ethyl]-N-methylcarbamate
SMILESCOc1cc(C(CN)N(C)C(=O)OC(C)(C)C)ccc1O
InChIInChI=1S/C15H24N2O4/c1-15(2,3)21-14(19)17(4)11(9-16)10-6-7-12(18)13(8-10)20-5/h6-8,11,18H,9,16H2,1-5H3
InChIKeyJQJRWJHGZPHRLA-UHFFFAOYSA-N
XLogP2.27
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-amino-1-(4-fluorophenyl)ethyl]-N-methylcarbamate
CID 82023502
4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol
CID 79647398
4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride
CID 171222633
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
tert-butyl 2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoate
CID 58545613
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
tert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate
CID 116860960
tert-butyl N-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate
CID 103953303
N-(2-aminoethyl)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide;hydrochloride
CID 170901975
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 22339410
tert-butyl N-[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]-N-methylcarbamate
CID 82023515
tert-butyl N-[1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate
CID 116860969

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-1-(4-hydroxy-3-methoxyphenyl)ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-amino-1-(4-hydroxy-3-methoxyphenyl)ethyl]-N-methylcarbamate (CID 82023522) is tert-butyl N-[2-amino-1-(4-hydroxy-3-methoxyphenyl)ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-amino-1-(4-hydroxy-3-methoxyphenyl)ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-amino-1-(4-hydroxy-3-methoxyphenyl)ethyl]-N-methylcarbamate is COc1cc(C(CN)N(C)C(=O)OC(C)(C)C)ccc1O.
What is the InChIKey of tert-butyl N-[2-amino-1-(4-hydroxy-3-methoxyphenyl)ethyl]-N-methylcarbamate?
The InChIKey is JQJRWJHGZPHRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(2,3)21-14(19)17(4)11(9-16)10-6-7-12(18)13(8-10)20-5/h6-8,11,18H,9,16H2,1-5H3.
What are the key properties of tert-butyl N-[2-amino-1-(4-hydroxy-3-methoxyphenyl)ethyl]-N-methylcarbamate?
tert-butyl N-[2-amino-1-(4-hydroxy-3-methoxyphenyl)ethyl]-N-methylcarbamate has a molecular weight of 296.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-amino-1-(4-hydroxy-3-methoxyphenyl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 82023522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).