N-[[2-(2-ethoxyethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine

C15H24N2O4 — CID 63056250

IUPACN-[[2-(2-ethoxyethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine
SMILESCCOCCOc1ccc([N+](=O)[O-])cc1CNC(C)(C)C
InChIInChI=1S/C15H24N2O4/c1-5-20-8-9-21-14-7-6-13(17(18)19)10-12(14)11-16-15(2,3)4/h6-7,10,16H,5,8-9,11H2,1-4H3
InChIKeyPYLCCBUJRRJKTR-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.90
Rot. Bonds8

About N-[[2-(2-ethoxyethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine

N-[[2-(2-ethoxyethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63056250) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[[2-(2-ethoxyethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-ethoxyethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine
PubChem CID63056250
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC NameN-[[2-(2-ethoxyethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine
SMILESCCOCCOc1ccc([N+](=O)[O-])cc1CNC(C)(C)C
InChIInChI=1S/C15H24N2O4/c1-5-20-8-9-21-14-7-6-13(17(18)19)10-12(14)11-16-15(2,3)4/h6-7,10,16H,5,8-9,11H2,1-4H3
InChIKeyPYLCCBUJRRJKTR-UHFFFAOYSA-N
XLogP2.90
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.90
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

N-[(2-butoxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine
CID 63055751
2-methyl-N-[(5-nitro-2-pent-3-ynoxyphenyl)methyl]propan-2-amine
CID 104805010
2-methyl-N-[(5-nitro-2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 63055752
N-[[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-nitrophenyl]methyl]-2-methylpropan-2-amine
CID 106436954
N-[(2-butan-2-yloxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine
CID 63056082
N-methyl-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-nitrophenyl]methanamine
CID 115942201
N-[[2-(difluoromethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine
CID 55148367
[2-(3-ethoxypropoxy)-5-nitrophenyl]methanol
CID 65175373
2-(bromomethyl)-1-(3-ethoxypropoxy)-4-nitrobenzene
CID 65175598
N-methyl-1-[2-[2-(2-methylpropoxy)ethoxy]-5-nitrophenyl]methanamine
CID 106449890
2-(2-ethoxyethoxy)-5-nitrobenzonitrile
CID 113324288
N-[[2-(ethoxymethoxy)-5-nitrophenyl]methyl]ethanamine
CID 65369396

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxyethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2-ethoxyethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine (CID 63056250) is N-[[2-(2-ethoxyethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2-ethoxyethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2-ethoxyethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine is CCOCCOc1ccc([N+](=O)[O-])cc1CNC(C)(C)C.
What is the InChIKey of N-[[2-(2-ethoxyethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is PYLCCBUJRRJKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-5-20-8-9-21-14-7-6-13(17(18)19)10-12(14)11-16-15(2,3)4/h6-7,10,16H,5,8-9,11H2,1-4H3.
What are the key properties of N-[[2-(2-ethoxyethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine?
N-[[2-(2-ethoxyethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 296.37 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxyethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63056250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).