2,6-dimethyl-N-(5-methyl-2-nitrophenyl)oxan-4-amine

C14H20N2O3 — CID 112548558

IUPAC2,6-dimethyl-N-(5-methyl-2-nitrophenyl)oxan-4-amine
SMILESCc1ccc([N+](=O)[O-])c(NC2CC(C)OC(C)C2)c1
InChIInChI=1S/C14H20N2O3/c1-9-4-5-14(16(17)18)13(6-9)15-12-7-10(2)19-11(3)8-12/h4-6,10-12,15H,7-8H2,1-3H3
InChIKeyPIWJPHPODOAOLK-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.27
Rot. Bonds3

About 2,6-dimethyl-N-(5-methyl-2-nitrophenyl)oxan-4-amine

2,6-dimethyl-N-(5-methyl-2-nitrophenyl)oxan-4-amine (PubChem CID 112548558) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2,6-dimethyl-N-(5-methyl-2-nitrophenyl)oxan-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(5-methyl-2-nitrophenyl)oxan-4-amine
PubChem CID112548558
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name2,6-dimethyl-N-(5-methyl-2-nitrophenyl)oxan-4-amine
SMILESCc1ccc([N+](=O)[O-])c(NC2CC(C)OC(C)C2)c1
InChIInChI=1S/C14H20N2O3/c1-9-4-5-14(16(17)18)13(6-9)15-12-7-10(2)19-11(3)8-12/h4-6,10-12,15H,7-8H2,1-3H3
InChIKeyPIWJPHPODOAOLK-UHFFFAOYSA-N
XLogP3.27
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.27
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

5-methyl-2-nitro-N-(3-phenylcyclobutyl)aniline
CID 115912369
4-(5-methyl-2-nitroanilino)piperidine-1-carboxamide
CID 115912396
2-[cyclopropylmethyl-[3-(5-methyl-2-nitroanilino)cyclobutyl]amino]acetic acid
CID 122061552
2-ethyl-2-methyl-N-(5-methyl-2-nitrophenyl)oxan-4-amine
CID 115912407
N-chloro-5-methyl-2-nitroaniline
CID 13272651
tert-butyl 3-(5-methyl-2-nitroanilino)azetidine-1-carboxylate
CID 103748376
(3R)-3-(5-methyl-2-nitroanilino)-1-(oxan-4-yl)pyrrolidin-2-one
CID 97055536
N-(5-methyl-2-nitrophenyl)pyridin-1-ium-1-amine
CID 101077307
5-chloro-N-(3,4-dimethylcyclohexyl)-2-nitroaniline
CID 64733980
N-cyclopropyl-5-iodo-2-nitroaniline
CID 129089634
5-(5-fluoro-2-nitroanilino)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 18549079
5-bromo-N-(2-methylcyclopropyl)-2-nitroaniline
CID 65341327

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(5-methyl-2-nitrophenyl)oxan-4-amine?
The IUPAC name of 2,6-dimethyl-N-(5-methyl-2-nitrophenyl)oxan-4-amine (CID 112548558) is 2,6-dimethyl-N-(5-methyl-2-nitrophenyl)oxan-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-(5-methyl-2-nitrophenyl)oxan-4-amine?
The canonical SMILES for 2,6-dimethyl-N-(5-methyl-2-nitrophenyl)oxan-4-amine is Cc1ccc([N+](=O)[O-])c(NC2CC(C)OC(C)C2)c1.
What is the InChIKey of 2,6-dimethyl-N-(5-methyl-2-nitrophenyl)oxan-4-amine?
The InChIKey is PIWJPHPODOAOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-4-5-14(16(17)18)13(6-9)15-12-7-10(2)19-11(3)8-12/h4-6,10-12,15H,7-8H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-(5-methyl-2-nitrophenyl)oxan-4-amine?
2,6-dimethyl-N-(5-methyl-2-nitrophenyl)oxan-4-amine has a molecular weight of 264.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(5-methyl-2-nitrophenyl)oxan-4-amine is sourced from PubChem (CID 112548558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).