tert-butyl N-[(3-amino-2-hydroxyphenyl)methyl]-N-methylcarbamate

C13H20N2O3 — CID 169243691

IUPACtert-butyl N-[(3-amino-2-hydroxyphenyl)methyl]-N-methylcarbamate
SMILESCN(Cc1cccc(N)c1O)C(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O3/c1-13(2,3)18-12(17)15(4)8-9-6-5-7-10(14)11(9)16/h5-7,16H,8,14H2,1-4H3
InChIKeyNFWSLBINKMNYOW-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.34
Rot. Bonds2

About tert-butyl N-[(3-amino-2-hydroxyphenyl)methyl]-N-methylcarbamate

tert-butyl N-[(3-amino-2-hydroxyphenyl)methyl]-N-methylcarbamate (PubChem CID 169243691) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is tert-butyl N-[(3-amino-2-hydroxyphenyl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-amino-2-hydroxyphenyl)methyl]-N-methylcarbamate
PubChem CID169243691
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nametert-butyl N-[(3-amino-2-hydroxyphenyl)methyl]-N-methylcarbamate
SMILESCN(Cc1cccc(N)c1O)C(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O3/c1-13(2,3)18-12(17)15(4)8-9-6-5-7-10(14)11(9)16/h5-7,16H,8,14H2,1-4H3
InChIKeyNFWSLBINKMNYOW-UHFFFAOYSA-N
XLogP2.34
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2-hydroxy-3-nitrophenyl)methyl]-N-methylcarbamate
CID 169243724
tert-butyl N-[(5-amino-2-bromophenyl)methyl]-N-methylcarbamate
CID 59315049
tert-butyl N-[[2-amino-3-(1H-pyrazol-5-yl)phenyl]methyl]-N-methylcarbamate
CID 123235376
4-(3-amino-2-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 174827067
tert-butyl N-[(3-amino-2-methoxyphenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 22981263
tert-butyl N-[(3-cyano-2-fluorophenyl)methyl]-N-methylcarbamate
CID 83410756
tert-butyl N-[(5-amino-2-iodosulfanylphenyl)methyl]-N-methylcarbamate
CID 89133118
2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]anilino]propanoic acid
CID 107242371
tert-butyl N-[[5-amino-2-(trifluoromethoxy)phenyl]methyl]-N-methylcarbamate
CID 59315399
2-methoxycarbonyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 59799802
2-[acetyl-[[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]amino]acetic acid
CID 158273995
tert-butyl N-[[2-(3-chloro-5-fluoro-4-hydroxyphenyl)phenyl]methyl]-N-methylcarbamate
CID 172890587

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-amino-2-hydroxyphenyl)methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(3-amino-2-hydroxyphenyl)methyl]-N-methylcarbamate (CID 169243691) is tert-butyl N-[(3-amino-2-hydroxyphenyl)methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(3-amino-2-hydroxyphenyl)methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(3-amino-2-hydroxyphenyl)methyl]-N-methylcarbamate is CN(Cc1cccc(N)c1O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3-amino-2-hydroxyphenyl)methyl]-N-methylcarbamate?
The InChIKey is NFWSLBINKMNYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,3)18-12(17)15(4)8-9-6-5-7-10(14)11(9)16/h5-7,16H,8,14H2,1-4H3.
What are the key properties of tert-butyl N-[(3-amino-2-hydroxyphenyl)methyl]-N-methylcarbamate?
tert-butyl N-[(3-amino-2-hydroxyphenyl)methyl]-N-methylcarbamate has a molecular weight of 252.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-amino-2-hydroxyphenyl)methyl]-N-methylcarbamate is sourced from PubChem (CID 169243691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).