3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline

C18H20FN — CID 43633887

IUPAC3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline
SMILESCCc1cccc(NC2CC(c3cccc(F)c3)C2)c1
InChIInChI=1S/C18H20FN/c1-2-13-5-3-8-17(9-13)20-18-11-15(12-18)14-6-4-7-16(19)10-14/h3-10,15,18,20H,2,11-12H2,1H3
InChIKeyNCQSXZRNOUXCJC-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.75
Rot. Bonds4

About 3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline

3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline (PubChem CID 43633887) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline
PubChem CID43633887
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline
SMILESCCc1cccc(NC2CC(c3cccc(F)c3)C2)c1
InChIInChI=1S/C18H20FN/c1-2-13-5-3-8-17(9-13)20-18-11-15(12-18)14-6-4-7-16(19)10-14/h3-10,15,18,20H,2,11-12H2,1H3
InChIKeyNCQSXZRNOUXCJC-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline
CID 43633962
3-ethyl-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
CID 43633885
3-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]-4-methylaniline
CID 43633782
N-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline
CID 43633459
3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633456
4-bromo-N-[3-(3-fluorophenyl)cyclobutyl]-3-methylaniline
CID 43633146
3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43633451
4-ethyl-N-(3-phenylcyclobutyl)aniline
CID 43632170
4-[[3-(3-fluorophenyl)cyclobutyl]amino]benzamide
CID 43633216
[3-[(3-phenylcyclobutyl)amino]phenyl]methanol
CID 43715189
2,6-dichloro-4-[[3-(3-fluorophenyl)cyclobutyl]amino]phenol
CID 107679299
2-fluoro-5-[[3-(3-fluorophenyl)cyclobutyl]amino]benzonitrile
CID 62317861

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline?
The IUPAC name of 3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline (CID 43633887) is 3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline.
What is the SMILES notation for 3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline?
The canonical SMILES for 3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline is CCc1cccc(NC2CC(c3cccc(F)c3)C2)c1.
What is the InChIKey of 3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline?
The InChIKey is NCQSXZRNOUXCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-2-13-5-3-8-17(9-13)20-18-11-15(12-18)14-6-4-7-16(19)10-14/h3-10,15,18,20H,2,11-12H2,1H3.
What are the key properties of 3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline?
3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline has a molecular weight of 269.36 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline is sourced from PubChem (CID 43633887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).