2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine

C13H20N2O3 — CID 61386077

IUPAC2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine
SMILESCc1ccc([N+](=O)[O-])cc1OCCNC(C)(C)C
InChIInChI=1S/C13H20N2O3/c1-10-5-6-11(15(16)17)9-12(10)18-8-7-14-13(2,3)4/h5-6,9,14H,7-8H2,1-4H3
InChIKeyYNUVEUIKHZEXMM-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.67
Rot. Bonds5

About 2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine

2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine (PubChem CID 61386077) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine
PubChem CID61386077
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine
SMILESCc1ccc([N+](=O)[O-])cc1OCCNC(C)(C)C
InChIInChI=1S/C13H20N2O3/c1-10-5-6-11(15(16)17)9-12(10)18-8-7-14-13(2,3)4/h5-6,9,14H,7-8H2,1-4H3
InChIKeyYNUVEUIKHZEXMM-UHFFFAOYSA-N
XLogP2.67
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze 2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-methoxy-5-nitrophenoxy)ethyl]-2-methylpropan-2-amine
CID 61386073
2-methyl-4-(2-methyl-5-nitrophenoxy)butan-2-ol
CID 79361061
3-(2-methyl-5-nitrophenoxy)propanamide
CID 61059962
methyl 3-(2-methyl-5-nitrophenoxy)propanoate
CID 43520114
2,2-dimethyl-6-(2-methyl-5-nitrophenoxy)hexanenitrile
CID 106710462
4-(2-methyl-5-nitrophenoxy)butanenitrile
CID 61032333
1-methyl-4-nitro-2-(2,2,2-trifluoroethoxy)benzene
CID 18700159
2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine
CID 103482481
N-[2-(5-chloro-2-nitrophenoxy)ethyl]-2-methylpropan-2-amine
CID 55057809
N-[(2-butoxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine
CID 63055751
2-(2-methyl-5-nitrophenoxy)acetonitrile
CID 60779222
2-(2-chloro-5-nitrophenoxy)-N-ethylethanamine
CID 63990575

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine (CID 61386077) is 2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine is Cc1ccc([N+](=O)[O-])cc1OCCNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine?
The InChIKey is YNUVEUIKHZEXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10-5-6-11(15(16)17)9-12(10)18-8-7-14-13(2,3)4/h5-6,9,14H,7-8H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine?
2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine has a molecular weight of 252.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine is sourced from PubChem (CID 61386077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).