3-ethoxy-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline

C16H24N2O3 — CID 79359787

IUPAC3-ethoxy-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline
SMILESCCOc1cc(NCC2C(C)(C)C2(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H24N2O3/c1-6-21-13-9-11(7-8-12(13)18(19)20)17-10-14-15(2,3)16(14,4)5/h7-9,14,17H,6,10H2,1-5H3
InChIKeyNLPGYSWORNJSIV-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.09
Rot. Bonds6

About 3-ethoxy-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline

3-ethoxy-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline (PubChem CID 79359787) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-ethoxy-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline.

Molecular Properties

Compound Name3-ethoxy-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline
PubChem CID79359787
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-ethoxy-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline
SMILESCCOc1cc(NCC2C(C)(C)C2(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H24N2O3/c1-6-21-13-9-11(7-8-12(13)18(19)20)17-10-14-15(2,3)16(14,4)5/h7-9,14,17H,6,10H2,1-5H3
InChIKeyNLPGYSWORNJSIV-UHFFFAOYSA-N
XLogP4.09
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.09
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

3-ethoxy-N-[(2-methylcyclopropyl)methyl]-4-nitroaniline
CID 115885984
4-methyl-3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline
CID 79362731
4-nitro-1-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,3-diamine
CID 106749442
(3-ethoxy-4-nitrophenyl)hydrazine
CID 63670732
N-[[(2S)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-ethoxy-4-nitroaniline
CID 99815952
N-(3-ethoxy-4-nitrophenyl)-N',N'-dimethylbutane-1,4-diamine
CID 63671822
3-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)-4-nitroaniline
CID 102913757
3-ethoxy-N-(2-methylsulfanylethyl)-4-nitroaniline
CID 63965225
3-ethoxy-N-(3-methylbutyl)-4-nitroaniline
CID 63671590
2-N-(3-ethoxy-4-nitrophenyl)-2-ethylbutane-1,2-diamine
CID 63887031
N-(2-cyclopropylpropyl)-3-ethoxy-4-nitroaniline
CID 115677849
3-(3-ethoxy-4-nitroanilino)propane-1-sulfonamide
CID 63669790

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline?
The IUPAC name of 3-ethoxy-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline (CID 79359787) is 3-ethoxy-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline.
What is the SMILES notation for 3-ethoxy-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline?
The canonical SMILES for 3-ethoxy-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline is CCOc1cc(NCC2C(C)(C)C2(C)C)ccc1[N+](=O)[O-].
What is the InChIKey of 3-ethoxy-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline?
The InChIKey is NLPGYSWORNJSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-6-21-13-9-11(7-8-12(13)18(19)20)17-10-14-15(2,3)16(14,4)5/h7-9,14,17H,6,10H2,1-5H3.
What are the key properties of 3-ethoxy-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline?
3-ethoxy-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline has a molecular weight of 292.38 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline is sourced from PubChem (CID 79359787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).