2,2-dimethyl-N-[2-(2-nitrophenyl)ethyl]oxan-4-amine

C15H22N2O3 — CID 83033151

IUPAC2,2-dimethyl-N-[2-(2-nitrophenyl)ethyl]oxan-4-amine
SMILESCC1(C)CC(NCCc2ccccc2[N+](=O)[O-])CCO1
InChIInChI=1S/C15H22N2O3/c1-15(2)11-13(8-10-20-15)16-9-7-12-5-3-4-6-14(12)17(18)19/h3-6,13,16H,7-11H2,1-2H3
InChIKeyXHXGRSPERGTVRC-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.68
Rot. Bonds5

About 2,2-dimethyl-N-[2-(2-nitrophenyl)ethyl]oxan-4-amine

2,2-dimethyl-N-[2-(2-nitrophenyl)ethyl]oxan-4-amine (PubChem CID 83033151) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(2-nitrophenyl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(2-nitrophenyl)ethyl]oxan-4-amine
PubChem CID83033151
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2,2-dimethyl-N-[2-(2-nitrophenyl)ethyl]oxan-4-amine
SMILESCC1(C)CC(NCCc2ccccc2[N+](=O)[O-])CCO1
InChIInChI=1S/C15H22N2O3/c1-15(2)11-13(8-10-20-15)16-9-7-12-5-3-4-6-14(12)17(18)19/h3-6,13,16H,7-11H2,1-2H3
InChIKeyXHXGRSPERGTVRC-UHFFFAOYSA-N
XLogP2.68
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.68
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'}

Analyze 2,2-dimethyl-N-[2-(2-nitrophenyl)ethyl]oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-nitrophenyl)ethyl]cyclooctanamine
CID 63063998
2-chloro-N-[(4S)-2,2-dimethyloxan-4-yl]-3-nitrobenzamide
CID 124595499
4-[2-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 63064027
N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide
CID 115563696
N-(2,2-dimethyloxan-4-yl)-3-hydroxy-4-nitrobenzamide
CID 103846992
1-methyl-3-[2-(2-nitrophenyl)ethylamino]pyrrolidin-2-one
CID 103711175
2-(2-nitrophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 63063831
N-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903710
1-methyl-N-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine
CID 63062447
N-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 63062965
4-[(2,2-dimethyloxan-4-yl)amino]-3-nitrobenzonitrile
CID 78965421
N-(5-methoxy-2-nitrophenyl)-2,2-dimethyloxan-4-amine
CID 115563832

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(2-nitrophenyl)ethyl]oxan-4-amine?
The IUPAC name of 2,2-dimethyl-N-[2-(2-nitrophenyl)ethyl]oxan-4-amine (CID 83033151) is 2,2-dimethyl-N-[2-(2-nitrophenyl)ethyl]oxan-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-(2-nitrophenyl)ethyl]oxan-4-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-(2-nitrophenyl)ethyl]oxan-4-amine is CC1(C)CC(NCCc2ccccc2[N+](=O)[O-])CCO1.
What is the InChIKey of 2,2-dimethyl-N-[2-(2-nitrophenyl)ethyl]oxan-4-amine?
The InChIKey is XHXGRSPERGTVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2)11-13(8-10-20-15)16-9-7-12-5-3-4-6-14(12)17(18)19/h3-6,13,16H,7-11H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-[2-(2-nitrophenyl)ethyl]oxan-4-amine?
2,2-dimethyl-N-[2-(2-nitrophenyl)ethyl]oxan-4-amine has a molecular weight of 278.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(2-nitrophenyl)ethyl]oxan-4-amine is sourced from PubChem (CID 83033151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).