3-ethyl-N-[3-(4-methoxyphenyl)cyclobutyl]aniline

C19H23NO — CID 43633885

IUPAC3-ethyl-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
SMILESCCc1cccc(NC2CC(c3ccc(OC)cc3)C2)c1
InChIInChI=1S/C19H23NO/c1-3-14-5-4-6-17(11-14)20-18-12-16(13-18)15-7-9-19(21-2)10-8-15/h4-11,16,18,20H,3,12-13H2,1-2H3
InChIKeyNUPZHMHFZYPQQG-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.62
Rot. Bonds5

About 3-ethyl-N-[3-(4-methoxyphenyl)cyclobutyl]aniline

3-ethyl-N-[3-(4-methoxyphenyl)cyclobutyl]aniline (PubChem CID 43633885) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-ethyl-N-[3-(4-methoxyphenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name3-ethyl-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
PubChem CID43633885
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name3-ethyl-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
SMILESCCc1cccc(NC2CC(c3ccc(OC)cc3)C2)c1
InChIInChI=1S/C19H23NO/c1-3-14-5-4-6-17(11-14)20-18-12-16(13-18)15-7-9-19(21-2)10-8-15/h4-11,16,18,20H,3,12-13H2,1-2H3
InChIKeyNUPZHMHFZYPQQG-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[3-(4-methoxyphenyl)cyclobutyl]aniline?
The IUPAC name of 3-ethyl-N-[3-(4-methoxyphenyl)cyclobutyl]aniline (CID 43633885) is 3-ethyl-N-[3-(4-methoxyphenyl)cyclobutyl]aniline.
What is the SMILES notation for 3-ethyl-N-[3-(4-methoxyphenyl)cyclobutyl]aniline?
The canonical SMILES for 3-ethyl-N-[3-(4-methoxyphenyl)cyclobutyl]aniline is CCc1cccc(NC2CC(c3ccc(OC)cc3)C2)c1.
What is the InChIKey of 3-ethyl-N-[3-(4-methoxyphenyl)cyclobutyl]aniline?
The InChIKey is NUPZHMHFZYPQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-14-5-4-6-17(11-14)20-18-12-16(13-18)15-7-9-19(21-2)10-8-15/h4-11,16,18,20H,3,12-13H2,1-2H3.
What are the key properties of 3-ethyl-N-[3-(4-methoxyphenyl)cyclobutyl]aniline?
3-ethyl-N-[3-(4-methoxyphenyl)cyclobutyl]aniline has a molecular weight of 281.40 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[3-(4-methoxyphenyl)cyclobutyl]aniline is sourced from PubChem (CID 43633885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).