N-[2-(2-methoxy-5-nitrophenoxy)ethyl]-2-methylpropan-2-amine

C13H20N2O4 — CID 61386073

IUPACN-[2-(2-methoxy-5-nitrophenoxy)ethyl]-2-methylpropan-2-amine
SMILESCOc1ccc([N+](=O)[O-])cc1OCCNC(C)(C)C
InChIInChI=1S/C13H20N2O4/c1-13(2,3)14-7-8-19-12-9-10(15(16)17)5-6-11(12)18-4/h5-6,9,14H,7-8H2,1-4H3
InChIKeyDUBINMRLGYGWBP-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.37
Rot. Bonds6

About N-[2-(2-methoxy-5-nitrophenoxy)ethyl]-2-methylpropan-2-amine

N-[2-(2-methoxy-5-nitrophenoxy)ethyl]-2-methylpropan-2-amine (PubChem CID 61386073) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-nitrophenoxy)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-nitrophenoxy)ethyl]-2-methylpropan-2-amine
PubChem CID61386073
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[2-(2-methoxy-5-nitrophenoxy)ethyl]-2-methylpropan-2-amine
SMILESCOc1ccc([N+](=O)[O-])cc1OCCNC(C)(C)C
InChIInChI=1S/C13H20N2O4/c1-13(2,3)14-7-8-19-12-9-10(15(16)17)5-6-11(12)18-4/h5-6,9,14H,7-8H2,1-4H3
InChIKeyDUBINMRLGYGWBP-UHFFFAOYSA-N
XLogP2.37
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine
CID 61386077
tert-butyl N-[3-(2-methoxy-5-nitrophenoxy)propyl]carbamate
CID 142777700
N-[2-(2-methoxy-5-nitrophenyl)ethyl]-2-methylpropan-2-amine
CID 62548144
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081
4-(2-methoxy-5-nitrophenoxy)-2,2-dimethylbutanoic acid
CID 65248150
3-(2-methoxy-5-nitrophenoxy)propanal
CID 63038722
2-methoxy-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-nitrobenzenesulfonamide
CID 55895075
2-methoxy-4-nitro-1-propoxybenzene
CID 131858212
N'-hydroxy-4-(2-methoxy-5-nitrophenoxy)-2,2-dimethylbutanimidamide
CID 77062541
2-(2-azidoethoxy)-1-methoxy-4-nitrobenzene
CID 61397125
2-(2-methoxy-5-nitrophenoxy)acetonitrile
CID 8946731
1-(2-chloroethoxy)-2-methoxy-4-nitrobenzene
CID 22326897

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-nitrophenoxy)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(2-methoxy-5-nitrophenoxy)ethyl]-2-methylpropan-2-amine (CID 61386073) is N-[2-(2-methoxy-5-nitrophenoxy)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2-methoxy-5-nitrophenoxy)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(2-methoxy-5-nitrophenoxy)ethyl]-2-methylpropan-2-amine is COc1ccc([N+](=O)[O-])cc1OCCNC(C)(C)C.
What is the InChIKey of N-[2-(2-methoxy-5-nitrophenoxy)ethyl]-2-methylpropan-2-amine?
The InChIKey is DUBINMRLGYGWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-13(2,3)14-7-8-19-12-9-10(15(16)17)5-6-11(12)18-4/h5-6,9,14H,7-8H2,1-4H3.
What are the key properties of N-[2-(2-methoxy-5-nitrophenoxy)ethyl]-2-methylpropan-2-amine?
N-[2-(2-methoxy-5-nitrophenoxy)ethyl]-2-methylpropan-2-amine has a molecular weight of 268.31 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-nitrophenoxy)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 61386073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).