N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-fluoro-4-methylaniline

C16H24FNO — CID 65168034

IUPACN-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-fluoro-4-methylaniline
SMILESCCOC1CC(Nc2ccc(C)c(F)c2)C1(C)CC
InChIInChI=1S/C16H24FNO/c1-5-16(4)14(10-15(16)19-6-2)18-12-8-7-11(3)13(17)9-12/h7-9,14-15,18H,5-6,10H2,1-4H3
InChIKeyXGIPYACBBOXCSQ-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.14
Rot. Bonds5

About N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-fluoro-4-methylaniline

N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-fluoro-4-methylaniline (PubChem CID 65168034) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-fluoro-4-methylaniline.

Molecular Properties

Compound NameN-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-fluoro-4-methylaniline
PubChem CID65168034
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-fluoro-4-methylaniline
SMILESCCOC1CC(Nc2ccc(C)c(F)c2)C1(C)CC
InChIInChI=1S/C16H24FNO/c1-5-16(4)14(10-15(16)19-6-2)18-12-8-7-11(3)13(17)9-12/h7-9,14-15,18H,5-6,10H2,1-4H3
InChIKeyXGIPYACBBOXCSQ-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-fluoro-4-methylaniline?
The IUPAC name of N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-fluoro-4-methylaniline (CID 65168034) is N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-fluoro-4-methylaniline.
What is the SMILES notation for N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-fluoro-4-methylaniline?
The canonical SMILES for N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-fluoro-4-methylaniline is CCOC1CC(Nc2ccc(C)c(F)c2)C1(C)CC.
What is the InChIKey of N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-fluoro-4-methylaniline?
The InChIKey is XGIPYACBBOXCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-5-16(4)14(10-15(16)19-6-2)18-12-8-7-11(3)13(17)9-12/h7-9,14-15,18H,5-6,10H2,1-4H3.
What are the key properties of N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-fluoro-4-methylaniline?
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-fluoro-4-methylaniline has a molecular weight of 265.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-fluoro-4-methylaniline is sourced from PubChem (CID 65168034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).