4-nitro-3-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)aniline

C16H24N2O3 — CID 79360119

IUPAC4-nitro-3-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)aniline
SMILESCCCOc1cc(NC2C(C)(C)C2(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H24N2O3/c1-6-9-21-13-10-11(7-8-12(13)18(19)20)17-14-15(2,3)16(14,4)5/h7-8,10,14,17H,6,9H2,1-5H3
InChIKeyAJTVBPDBKHQBHM-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.23
Rot. Bonds6

About 4-nitro-3-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)aniline

4-nitro-3-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)aniline (PubChem CID 79360119) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-nitro-3-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)aniline.

Molecular Properties

Compound Name4-nitro-3-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)aniline
PubChem CID79360119
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-nitro-3-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)aniline
SMILESCCCOc1cc(NC2C(C)(C)C2(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H24N2O3/c1-6-9-21-13-10-11(7-8-12(13)18(19)20)17-14-15(2,3)16(14,4)5/h7-8,10,14,17H,6,9H2,1-5H3
InChIKeyAJTVBPDBKHQBHM-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
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-(4-nitro-3-propoxyphenyl)azetidin-3-amine
CID 66186786
N-(1-methylcyclopropyl)-4-nitro-3-propoxyaniline
CID 113485591
N-(2-methylcyclohexyl)-4-nitro-3-propoxyaniline
CID 63669905
N-(1-cyclopropylethyl)-4-nitro-3-propoxyaniline
CID 63670592
N-(1-methoxypropan-2-yl)-4-nitro-3-propoxyaniline
CID 63671759
N-(5-methylhexan-2-yl)-4-nitro-3-propoxyaniline
CID 63926922
4-nitro-N-pentyl-3-propoxyaniline
CID 63669901
2-ethyl-2-N-(4-nitro-3-propoxyphenyl)butane-1,2-diamine
CID 63887824
[1-(4-nitro-3-propoxyanilino)cyclopentyl]methanol
CID 63671999
(2S)-3-methyl-2-(4-nitro-3-propoxyanilino)butan-1-ol
CID 79246995
1-N-(4-nitro-3-propoxyphenyl)propane-1,2-diamine
CID 63731293
2-cyclopropyl-2-(4-nitro-3-propoxyanilino)acetic acid
CID 63672080

Frequently Asked Questions

What is the IUPAC name of 4-nitro-3-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)aniline?
The IUPAC name of 4-nitro-3-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)aniline (CID 79360119) is 4-nitro-3-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)aniline.
What is the SMILES notation for 4-nitro-3-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)aniline?
The canonical SMILES for 4-nitro-3-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)aniline is CCCOc1cc(NC2C(C)(C)C2(C)C)ccc1[N+](=O)[O-].
What is the InChIKey of 4-nitro-3-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)aniline?
The InChIKey is AJTVBPDBKHQBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-6-9-21-13-10-11(7-8-12(13)18(19)20)17-14-15(2,3)16(14,4)5/h7-8,10,14,17H,6,9H2,1-5H3.
What are the key properties of 4-nitro-3-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)aniline?
4-nitro-3-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)aniline has a molecular weight of 292.38 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-3-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)aniline is sourced from PubChem (CID 79360119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).