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

C17H26ClNO2 — CID 107621176

IUPAC4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methoxyaniline
SMILESCOc1cc(NC2CC(OCC(C)C)C2(C)C)ccc1Cl
InChIInChI=1S/C17H26ClNO2/c1-11(2)10-21-16-9-15(17(16,3)4)19-12-6-7-13(18)14(8-12)20-5/h6-8,11,15-16,19H,9-10H2,1-5H3
InChIKeyWJMZOGJYNQGGOX-UHFFFAOYSA-N
MW311.85 g/mol
LogP4.60
Rot. Bonds6

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

4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methoxyaniline (PubChem CID 107621176) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methoxyaniline
PubChem CID107621176
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methoxyaniline
SMILESCOc1cc(NC2CC(OCC(C)C)C2(C)C)ccc1Cl
InChIInChI=1S/C17H26ClNO2/c1-11(2)10-21-16-9-15(17(16,3)4)19-12-6-7-13(18)14(8-12)20-5/h6-8,11,15-16,19H,9-10H2,1-5H3
InChIKeyWJMZOGJYNQGGOX-UHFFFAOYSA-N
XLogP4.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline
CID 64853119
2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 65469345
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoro-3-methylaniline
CID 64851194
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-6-methoxypyridin-3-amine
CID 64850574
4-bromo-2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 64851756
[3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]phenyl]methanol
CID 64850786
2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methylaniline
CID 64851175
4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]benzoic acid
CID 64852146
2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenol
CID 107678106
4-bromo-2,3-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 107787809

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methoxyaniline?
The IUPAC name of 4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methoxyaniline (CID 107621176) is 4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methoxyaniline.
What is the SMILES notation for 4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methoxyaniline?
The canonical SMILES for 4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methoxyaniline is COc1cc(NC2CC(OCC(C)C)C2(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methoxyaniline?
The InChIKey is WJMZOGJYNQGGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-11(2)10-21-16-9-15(17(16,3)4)19-12-6-7-13(18)14(8-12)20-5/h6-8,11,15-16,19H,9-10H2,1-5H3.
What are the key properties of 4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methoxyaniline?
4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methoxyaniline has a molecular weight of 311.85 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methoxyaniline is sourced from PubChem (CID 107621176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).