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

C13H20N2O3 — CID 62548144

IUPACN-[2-(2-methoxy-5-nitrophenyl)ethyl]-2-methylpropan-2-amine
SMILESCOc1ccc([N+](=O)[O-])cc1CCNC(C)(C)C
InChIInChI=1S/C13H20N2O3/c1-13(2,3)14-8-7-10-9-11(15(16)17)5-6-12(10)18-4/h5-6,9,14H,7-8H2,1-4H3
InChIKeySCXMICXKGCTKMZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.53
Rot. Bonds5

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

N-[2-(2-methoxy-5-nitrophenyl)ethyl]-2-methylpropan-2-amine (PubChem CID 62548144) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-nitrophenyl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-nitrophenyl)ethyl]-2-methylpropan-2-amine
PubChem CID62548144
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-[2-(2-methoxy-5-nitrophenyl)ethyl]-2-methylpropan-2-amine
SMILESCOc1ccc([N+](=O)[O-])cc1CCNC(C)(C)C
InChIInChI=1S/C13H20N2O3/c1-13(2,3)14-8-7-10-9-11(15(16)17)5-6-12(10)18-4/h5-6,9,14H,7-8H2,1-4H3
InChIKeySCXMICXKGCTKMZ-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxy-5-nitrophenoxy)ethyl]-2-methylpropan-2-amine
CID 61386073
N-(2-methoxyethyl)-2-(2-methoxy-5-nitrophenyl)ethanamine
CID 62550623
N-[2-(2-methoxy-5-nitrophenyl)ethyl]-2-methylpropan-1-amine
CID 62548321
methyl 3-(2-methoxy-5-nitrophenyl)-2-oxopropanoate
CID 18370815
N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867
3-(2-methoxy-5-nitrophenyl)-2,2-dimethylpropanoic acid
CID 62740765
2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 43082616
N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-nitrobenzenesulfonamide
CID 43501815
2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine
CID 61386077
2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 43082654
N-[(2-methoxy-5-nitrophenyl)methyl]-3,5-dimethylaniline
CID 43212565
N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 27818248

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-nitrophenyl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(2-methoxy-5-nitrophenyl)ethyl]-2-methylpropan-2-amine (CID 62548144) is N-[2-(2-methoxy-5-nitrophenyl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2-methoxy-5-nitrophenyl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(2-methoxy-5-nitrophenyl)ethyl]-2-methylpropan-2-amine is COc1ccc([N+](=O)[O-])cc1CCNC(C)(C)C.
What is the InChIKey of N-[2-(2-methoxy-5-nitrophenyl)ethyl]-2-methylpropan-2-amine?
The InChIKey is SCXMICXKGCTKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,3)14-8-7-10-9-11(15(16)17)5-6-12(10)18-4/h5-6,9,14H,7-8H2,1-4H3.
What are the key properties of N-[2-(2-methoxy-5-nitrophenyl)ethyl]-2-methylpropan-2-amine?
N-[2-(2-methoxy-5-nitrophenyl)ethyl]-2-methylpropan-2-amine has a molecular weight of 252.31 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-nitrophenyl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62548144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).