1-methoxy-2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-2-amine

C13H20N2O3 — CID 115627630

IUPAC1-methoxy-2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-2-amine
SMILESCOCC(C)(C)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H20N2O3/c1-13(2,10-18-3)14-9-8-11-4-6-12(7-5-11)15(16)17/h4-7,14H,8-10H2,1-3H3
InChIKeyCSSOAPMAPLXIIM-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.15
Rot. Bonds7

About 1-methoxy-2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-2-amine

1-methoxy-2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-2-amine (PubChem CID 115627630) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-methoxy-2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-2-amine
PubChem CID115627630
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-methoxy-2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-2-amine
SMILESCOCC(C)(C)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H20N2O3/c1-13(2,10-18-3)14-9-8-11-4-6-12(7-5-11)15(16)17/h4-7,14H,8-10H2,1-3H3
InChIKeyCSSOAPMAPLXIIM-UHFFFAOYSA-N
XLogP2.15
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.15
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-(1-methoxy-2-methylpropan-2-yl)-4-nitroaniline
CID 115899030
2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 47367990
4-methoxy-4-methyl-N-[2-(4-nitrophenyl)ethyl]pentan-2-amine
CID 61220619
3,3-dimethyl-N-[2-(4-nitrophenyl)ethyl]butan-1-amine
CID 61221202
2-methoxy-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide
CID 110311225
methyl 2-[2-(4-nitrophenyl)ethylamino]acetate
CID 43519885
(4-nitrophenyl) N-(1-methoxy-2-methylpropan-2-yl)sulfamate
CID 156808933
2-(4-nitrophenyl)ethylhydrazine;hydrochloride
CID 69415897
2-amino-3-methoxy-N-[2-(4-nitrophenyl)ethyl]propanamide;hydrochloride
CID 120987128
N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927
N-[2-(4-nitrophenyl)ethyl]formamide
CID 64992334
N-[2-(4-nitrophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115611145

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-2-amine?
The IUPAC name of 1-methoxy-2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-2-amine (CID 115627630) is 1-methoxy-2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-methoxy-2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-2-amine is COCC(C)(C)NCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-methoxy-2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-2-amine?
The InChIKey is CSSOAPMAPLXIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,10-18-3)14-9-8-11-4-6-12(7-5-11)15(16)17/h4-7,14H,8-10H2,1-3H3.
What are the key properties of 1-methoxy-2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-2-amine?
1-methoxy-2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-2-amine has a molecular weight of 252.31 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 115627630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).