2,2-dimethyl-N-(3-methyl-2-nitrophenyl)oxan-4-amine

C14H20N2O3 — CID 102605268

IUPAC2,2-dimethyl-N-(3-methyl-2-nitrophenyl)oxan-4-amine
SMILESCc1cccc(NC2CCOC(C)(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-10-5-4-6-12(13(10)16(17)18)15-11-7-8-19-14(2,3)9-11/h4-6,11,15H,7-9H2,1-3H3
InChIKeyOPSMQTNPCDNEHJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.27
Rot. Bonds3

About 2,2-dimethyl-N-(3-methyl-2-nitrophenyl)oxan-4-amine

2,2-dimethyl-N-(3-methyl-2-nitrophenyl)oxan-4-amine (PubChem CID 102605268) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-methyl-2-nitrophenyl)oxan-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-methyl-2-nitrophenyl)oxan-4-amine
PubChem CID102605268
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2,2-dimethyl-N-(3-methyl-2-nitrophenyl)oxan-4-amine
SMILESCc1cccc(NC2CCOC(C)(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-10-5-4-6-12(13(10)16(17)18)15-11-7-8-19-14(2,3)9-11/h4-6,11,15H,7-9H2,1-3H3
InChIKeyOPSMQTNPCDNEHJ-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 ≤ 500264.32
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

N-(2,2-dimethyloxan-4-yl)-2-methylpyridin-3-amine
CID 79042204
N-(3-chloro-2-nitrophenyl)-2,2-diethyloxan-4-amine
CID 104836068
N-(3-fluoro-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377810
4-[(2,2-dimethyloxan-4-yl)amino]-3-nitrobenzonitrile
CID 78965421
N-(5-methoxy-2-nitrophenyl)-2,2-dimethyloxan-4-amine
CID 115563832
N-(2,2-dimethyloxan-4-yl)-5-nitropyridin-2-amine
CID 113336591
3-N-(3,3-dimethylcyclopentyl)-1-N-methyl-2-nitrobenzene-1,3-diamine
CID 114542074
1-N-(2,2-dimethyloxan-4-yl)-2-methylbenzene-1,4-diamine
CID 83028141
ethyl 2-amino-3-[(2,2-dimethyloxan-4-yl)amino]benzoate
CID 83035256
N-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377777
3-bromo-N-(2,2-dimethyloxan-4-yl)-5-nitropyridin-2-amine
CID 115563804
N-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine
CID 83028574

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-methyl-2-nitrophenyl)oxan-4-amine?
The IUPAC name of 2,2-dimethyl-N-(3-methyl-2-nitrophenyl)oxan-4-amine (CID 102605268) is 2,2-dimethyl-N-(3-methyl-2-nitrophenyl)oxan-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-(3-methyl-2-nitrophenyl)oxan-4-amine?
The canonical SMILES for 2,2-dimethyl-N-(3-methyl-2-nitrophenyl)oxan-4-amine is Cc1cccc(NC2CCOC(C)(C)C2)c1[N+](=O)[O-].
What is the InChIKey of 2,2-dimethyl-N-(3-methyl-2-nitrophenyl)oxan-4-amine?
The InChIKey is OPSMQTNPCDNEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-5-4-6-12(13(10)16(17)18)15-11-7-8-19-14(2,3)9-11/h4-6,11,15H,7-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(3-methyl-2-nitrophenyl)oxan-4-amine?
2,2-dimethyl-N-(3-methyl-2-nitrophenyl)oxan-4-amine has a molecular weight of 264.32 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 2,2-dimethyl-N-(3-methyl-2-nitrophenyl)oxan-4-amine is sourced from PubChem (CID 102605268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).