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

C17H26FNO — CID 64851194

IUPACN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoro-3-methylaniline
SMILESCc1cc(NC2CC(OCC(C)C)C2(C)C)ccc1F
InChIInChI=1S/C17H26FNO/c1-11(2)10-20-16-9-15(17(16,4)5)19-13-6-7-14(18)12(3)8-13/h6-8,11,15-16,19H,9-10H2,1-5H3
InChIKeyRXRGEJDUIFFKLE-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.39
Rot. Bonds5

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

N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoro-3-methylaniline (PubChem CID 64851194) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoro-3-methylaniline.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoro-3-methylaniline
PubChem CID64851194
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoro-3-methylaniline
SMILESCc1cc(NC2CC(OCC(C)C)C2(C)C)ccc1F
InChIInChI=1S/C17H26FNO/c1-11(2)10-20-16-9-15(17(16,4)5)19-13-6-7-14(18)12(3)8-13/h6-8,11,15-16,19H,9-10H2,1-5H3
InChIKeyRXRGEJDUIFFKLE-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoro-3-methylaniline?
The IUPAC name of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoro-3-methylaniline (CID 64851194) is N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoro-3-methylaniline.
What is the SMILES notation for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoro-3-methylaniline?
The canonical SMILES for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoro-3-methylaniline is Cc1cc(NC2CC(OCC(C)C)C2(C)C)ccc1F.
What is the InChIKey of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoro-3-methylaniline?
The InChIKey is RXRGEJDUIFFKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-11(2)10-20-16-9-15(17(16,4)5)19-13-6-7-14(18)12(3)8-13/h6-8,11,15-16,19H,9-10H2,1-5H3.
What are the key properties of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoro-3-methylaniline?
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoro-3-methylaniline has a molecular weight of 279.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoro-3-methylaniline is sourced from PubChem (CID 64851194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).