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

C19H23NO — CID 43633801

IUPAC2-ethyl-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
SMILESCCc1ccccc1NC1CC(c2cccc(OC)c2)C1
InChIInChI=1S/C19H23NO/c1-3-14-7-4-5-10-19(14)20-17-11-16(12-17)15-8-6-9-18(13-15)21-2/h4-10,13,16-17,20H,3,11-12H2,1-2H3
InChIKeyFDEANICDSDBYFR-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.62
Rot. Bonds5

About 2-ethyl-N-[3-(3-methoxyphenyl)cyclobutyl]aniline

2-ethyl-N-[3-(3-methoxyphenyl)cyclobutyl]aniline (PubChem CID 43633801) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-ethyl-N-[3-(3-methoxyphenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name2-ethyl-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
PubChem CID43633801
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-ethyl-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
SMILESCCc1ccccc1NC1CC(c2cccc(OC)c2)C1
InChIInChI=1S/C19H23NO/c1-3-14-7-4-5-10-19(14)20-17-11-16(12-17)15-8-6-9-18(13-15)21-2/h4-10,13,16-17,20H,3,11-12H2,1-2H3
InChIKeyFDEANICDSDBYFR-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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Related Compounds

3-bromo-N-[3-(3-methoxyphenyl)cyclobutyl]-2-methylaniline
CID 107630084
2-bromo-3-chloro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 103478343
2,5-dibromo-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43736849
2,4-difluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633711
2,4-dichloro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633015
N-[3-(3-chlorophenyl)cyclobutyl]-2-(methoxymethyl)aniline
CID 43678042
N-[3-(3-fluorophenyl)cyclobutyl]-2-propylaniline
CID 43687441
3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633456
N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 103699490
3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol
CID 65107986
N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline
CID 43633962
N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 64569258

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(3-methoxyphenyl)cyclobutyl]aniline?
The IUPAC name of 2-ethyl-N-[3-(3-methoxyphenyl)cyclobutyl]aniline (CID 43633801) is 2-ethyl-N-[3-(3-methoxyphenyl)cyclobutyl]aniline.
What is the SMILES notation for 2-ethyl-N-[3-(3-methoxyphenyl)cyclobutyl]aniline?
The canonical SMILES for 2-ethyl-N-[3-(3-methoxyphenyl)cyclobutyl]aniline is CCc1ccccc1NC1CC(c2cccc(OC)c2)C1.
What is the InChIKey of 2-ethyl-N-[3-(3-methoxyphenyl)cyclobutyl]aniline?
The InChIKey is FDEANICDSDBYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-14-7-4-5-10-19(14)20-17-11-16(12-17)15-8-6-9-18(13-15)21-2/h4-10,13,16-17,20H,3,11-12H2,1-2H3.
What are the key properties of 2-ethyl-N-[3-(3-methoxyphenyl)cyclobutyl]aniline?
2-ethyl-N-[3-(3-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 2-ethyl-N-[3-(3-methoxyphenyl)cyclobutyl]aniline is sourced from PubChem (CID 43633801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).