2-nitro-3,4,6-tri(propan-2-yl)aniline

C15H24N2O2 — CID 4535815

IUPAC2-nitro-3,4,6-tri(propan-2-yl)aniline
SMILESCC(C)c1cc(C(C)C)c(C(C)C)c([N+](=O)[O-])c1N
InChIInChI=1S/C15H24N2O2/c1-8(2)11-7-12(9(3)4)14(16)15(17(18)19)13(11)10(5)6/h7-10H,16H2,1-6H3
InChIKeyHGGFMAFJPNGQHR-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.55
Rot. Bonds4

About 2-nitro-3,4,6-tri(propan-2-yl)aniline

2-nitro-3,4,6-tri(propan-2-yl)aniline (PubChem CID 4535815) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-nitro-3,4,6-tri(propan-2-yl)aniline.

Molecular Properties

Compound Name2-nitro-3,4,6-tri(propan-2-yl)aniline
PubChem CID4535815
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-nitro-3,4,6-tri(propan-2-yl)aniline
SMILESCC(C)c1cc(C(C)C)c(C(C)C)c([N+](=O)[O-])c1N
InChIInChI=1S/C15H24N2O2/c1-8(2)11-7-12(9(3)4)14(16)15(17(18)19)13(11)10(5)6/h7-10H,16H2,1-6H3
InChIKeyHGGFMAFJPNGQHR-UHFFFAOYSA-N
XLogP4.55
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-nitro-3,4,6-tri(propan-2-yl)aniline?
The IUPAC name of 2-nitro-3,4,6-tri(propan-2-yl)aniline (CID 4535815) is 2-nitro-3,4,6-tri(propan-2-yl)aniline.
What is the SMILES notation for 2-nitro-3,4,6-tri(propan-2-yl)aniline?
The canonical SMILES for 2-nitro-3,4,6-tri(propan-2-yl)aniline is CC(C)c1cc(C(C)C)c(C(C)C)c([N+](=O)[O-])c1N.
What is the InChIKey of 2-nitro-3,4,6-tri(propan-2-yl)aniline?
The InChIKey is HGGFMAFJPNGQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-8(2)11-7-12(9(3)4)14(16)15(17(18)19)13(11)10(5)6/h7-10H,16H2,1-6H3.
What are the key properties of 2-nitro-3,4,6-tri(propan-2-yl)aniline?
2-nitro-3,4,6-tri(propan-2-yl)aniline has a molecular weight of 264.37 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-3,4,6-tri(propan-2-yl)aniline is sourced from PubChem (CID 4535815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).