N-(1-methoxy-2-methylpropan-2-yl)-4-nitroaniline

C11H16N2O3 — CID 115899030

IUPACN-(1-methoxy-2-methylpropan-2-yl)-4-nitroaniline
SMILESCOCC(C)(C)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H16N2O3/c1-11(2,8-16-3)12-9-4-6-10(7-5-9)13(14)15/h4-7,12H,8H2,1-3H3
InChIKeyXIHNWSRPZGONPA-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.43
Rot. Bonds5

About N-(1-methoxy-2-methylpropan-2-yl)-4-nitroaniline

N-(1-methoxy-2-methylpropan-2-yl)-4-nitroaniline (PubChem CID 115899030) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)-4-nitroaniline.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)-4-nitroaniline
PubChem CID115899030
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)-4-nitroaniline
SMILESCOCC(C)(C)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H16N2O3/c1-11(2,8-16-3)12-9-4-6-10(7-5-9)13(14)15/h4-7,12H,8H2,1-3H3
InChIKeyXIHNWSRPZGONPA-UHFFFAOYSA-N
XLogP2.43
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.43
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

1-methoxy-2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-2-amine
CID 115627630
(4-nitrophenyl) N-(1-methoxy-2-methylpropan-2-yl)sulfamate
CID 156808933
(2R)-2-methyl-2-(4-nitroanilino)butanenitrile
CID 125486832
N-(2,2-dimethoxyethyl)-4-nitroaniline
CID 19371061
5-chloro-N-(1-methoxy-2-methylpropan-2-yl)-2-nitroaniline
CID 22922509
N-(3,3-dimethylbutyl)-4-nitroaniline
CID 60759785
N-(1-methoxypropan-2-yl)-4-nitroaniline
CID 23104376
2-iodo-N-(1-methoxy-2-methylpropan-2-yl)-5-nitrobenzamide
CID 115606610
N-(1-methoxy-2-methylpropan-2-yl)-5-nitro-1,3-thiazol-2-amine
CID 102771057
1-methoxy-4-(4-nitroanilino)butan-2-ol
CID 103875762
N-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]aniline
CID 142912922
4-nitro-N-(3-trimethoxysilylpropyl)aniline
CID 71345745

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-4-nitroaniline?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-4-nitroaniline (CID 115899030) is N-(1-methoxy-2-methylpropan-2-yl)-4-nitroaniline.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)-4-nitroaniline?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)-4-nitroaniline is COCC(C)(C)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)-4-nitroaniline?
The InChIKey is XIHNWSRPZGONPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(2,8-16-3)12-9-4-6-10(7-5-9)13(14)15/h4-7,12H,8H2,1-3H3.
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)-4-nitroaniline?
N-(1-methoxy-2-methylpropan-2-yl)-4-nitroaniline has a molecular weight of 224.26 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropan-2-yl)-4-nitroaniline is sourced from PubChem (CID 115899030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).