N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline

C17H27NO2 — CID 64853119

IUPACN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline
SMILESCOc1ccc(NC2CC(OCC(C)C)C2(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-12(2)11-20-16-10-15(17(16,3)4)18-13-6-8-14(19-5)9-7-13/h6-9,12,15-16,18H,10-11H2,1-5H3
InChIKeyBKXGBKMWHLVNSX-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.95
Rot. Bonds6

About N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline

N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline (PubChem CID 64853119) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline
PubChem CID64853119
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline
SMILESCOc1ccc(NC2CC(OCC(C)C)C2(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-12(2)11-20-16-10-15(17(16,3)4)18-13-6-8-14(19-5)9-7-13/h6-9,12,15-16,18H,10-11H2,1-5H3
InChIKeyBKXGBKMWHLVNSX-UHFFFAOYSA-N
XLogP3.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-6-methoxypyridin-3-amine
CID 64850574
4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methoxyaniline
CID 107621176
4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]benzoic acid
CID 64852146
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoro-3-methylaniline
CID 64851194
4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-fluoroaniline
CID 64851379
4-bromo-3-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 107619177
[3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]phenyl]methanol
CID 64850786
2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 65469345
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline
CID 64852729
2,2-dimethyl-3-(2-methylpropoxy)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine
CID 64851968
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-fluoroaniline
CID 64851558
2,4,6-tribromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 64851754

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline?
The IUPAC name of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline (CID 64853119) is N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline.
What is the SMILES notation for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline?
The canonical SMILES for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline is COc1ccc(NC2CC(OCC(C)C)C2(C)C)cc1.
What is the InChIKey of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline?
The InChIKey is BKXGBKMWHLVNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)11-20-16-10-15(17(16,3)4)18-13-6-8-14(19-5)9-7-13/h6-9,12,15-16,18H,10-11H2,1-5H3.
What are the key properties of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline?
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline has a molecular weight of 277.41 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline is sourced from PubChem (CID 64853119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).