3-methoxy-2,2-dimethyl-N-[(2-nitrophenyl)methyl]cyclobutan-1-amine

C14H20N2O3 — CID 103743244

IUPAC3-methoxy-2,2-dimethyl-N-[(2-nitrophenyl)methyl]cyclobutan-1-amine
SMILESCOC1CC(NCc2ccccc2[N+](=O)[O-])C1(C)C
InChIInChI=1S/C14H20N2O3/c1-14(2)12(8-13(14)19-3)15-9-10-6-4-5-7-11(10)16(17)18/h4-7,12-13,15H,8-9H2,1-3H3
InChIKeyKDOYXAHLIVMFCR-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.50
Rot. Bonds5

About 3-methoxy-2,2-dimethyl-N-[(2-nitrophenyl)methyl]cyclobutan-1-amine

3-methoxy-2,2-dimethyl-N-[(2-nitrophenyl)methyl]cyclobutan-1-amine (PubChem CID 103743244) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethyl-N-[(2-nitrophenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-2,2-dimethyl-N-[(2-nitrophenyl)methyl]cyclobutan-1-amine
PubChem CID103743244
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-methoxy-2,2-dimethyl-N-[(2-nitrophenyl)methyl]cyclobutan-1-amine
SMILESCOC1CC(NCc2ccccc2[N+](=O)[O-])C1(C)C
InChIInChI=1S/C14H20N2O3/c1-14(2)12(8-13(14)19-3)15-9-10-6-4-5-7-11(10)16(17)18/h4-7,12-13,15H,8-9H2,1-3H3
InChIKeyKDOYXAHLIVMFCR-UHFFFAOYSA-N
XLogP2.50
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.50
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-[(5-bromo-2-nitrophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 103859182
3-methoxy-2,2-dimethyl-N-[(5-nitrothiophen-3-yl)methyl]cyclobutan-1-amine
CID 113253068
2,2-dimethyl-3-[(2-methyl-3-nitrophenyl)methylamino]cyclobutan-1-ol
CID 114629537
8,8-dimethyl-N-[(2-nitrophenyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865386
N-[(2-nitrophenyl)methyl]adamantan-2-amine
CID 792005
3-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-nitroaniline
CID 104917855
7,7-dimethyl-N-[(2-nitrophenyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863148
N-[(2-nitrophenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711632
3-methoxy-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclobutan-1-amine
CID 103578692
3-methyl-N-[(2-nitrophenyl)methyl]cyclohexan-1-amine
CID 43317674
2,2,5,5-tetramethyl-N-[(2-methyl-3-nitrophenyl)methyl]oxolan-3-amine
CID 104927068
3-[(4-chloro-2-nitrophenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629409

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethyl-N-[(2-nitrophenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-2,2-dimethyl-N-[(2-nitrophenyl)methyl]cyclobutan-1-amine (CID 103743244) is 3-methoxy-2,2-dimethyl-N-[(2-nitrophenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-2,2-dimethyl-N-[(2-nitrophenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-2,2-dimethyl-N-[(2-nitrophenyl)methyl]cyclobutan-1-amine is COC1CC(NCc2ccccc2[N+](=O)[O-])C1(C)C.
What is the InChIKey of 3-methoxy-2,2-dimethyl-N-[(2-nitrophenyl)methyl]cyclobutan-1-amine?
The InChIKey is KDOYXAHLIVMFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2)12(8-13(14)19-3)15-9-10-6-4-5-7-11(10)16(17)18/h4-7,12-13,15H,8-9H2,1-3H3.
What are the key properties of 3-methoxy-2,2-dimethyl-N-[(2-nitrophenyl)methyl]cyclobutan-1-amine?
3-methoxy-2,2-dimethyl-N-[(2-nitrophenyl)methyl]cyclobutan-1-amine has a molecular weight of 264.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethyl-N-[(2-nitrophenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 103743244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).