N-(3-ethoxycyclobutyl)-3-methoxy-2,4-dimethylaniline

C15H23NO2 — CID 112561854

IUPACN-(3-ethoxycyclobutyl)-3-methoxy-2,4-dimethylaniline
SMILESCCOC1CC(Nc2ccc(C)c(OC)c2C)C1
InChIInChI=1S/C15H23NO2/c1-5-18-13-8-12(9-13)16-14-7-6-10(2)15(17-4)11(14)3/h6-7,12-13,16H,5,8-9H2,1-4H3
InChIKeyCFQLFJWGCPBSMZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.29
Rot. Bonds5

About N-(3-ethoxycyclobutyl)-3-methoxy-2,4-dimethylaniline

N-(3-ethoxycyclobutyl)-3-methoxy-2,4-dimethylaniline (PubChem CID 112561854) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(3-ethoxycyclobutyl)-3-methoxy-2,4-dimethylaniline.

Molecular Properties

Compound NameN-(3-ethoxycyclobutyl)-3-methoxy-2,4-dimethylaniline
PubChem CID112561854
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(3-ethoxycyclobutyl)-3-methoxy-2,4-dimethylaniline
SMILESCCOC1CC(Nc2ccc(C)c(OC)c2C)C1
InChIInChI=1S/C15H23NO2/c1-5-18-13-8-12(9-13)16-14-7-6-10(2)15(17-4)11(14)3/h6-7,12-13,16H,5,8-9H2,1-4H3
InChIKeyCFQLFJWGCPBSMZ-UHFFFAOYSA-N
XLogP3.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2,4-dimethyl-N-(3-methylcyclopentyl)aniline
CID 64501091
N-(3-ethoxycyclobutyl)-8-methylquinolin-5-amine
CID 112573902
N-(3-methoxy-2,4-dimethylphenyl)-1-oxothian-4-amine
CID 54981964
1-N-(3-ethoxycyclobutyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 112561855
N-(3-methoxy-2,4-dimethylphenyl)azepan-4-amine
CID 103981427
N-(3-methoxy-2,4-dimethylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658503
N-(3-methoxy-2,4-dimethylphenyl)thiolan-3-amine
CID 43738970
N-(3-methoxy-2,4-dimethylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43789706
3-[(3-ethoxycyclobutyl)amino]-N,2-dimethylbenzamide
CID 112561851
4-chloro-N-(3-ethoxycyclobutyl)-2,5-dimethoxyaniline
CID 112573941
N-(2-ethylbutyl)-3-methoxy-2,4-dimethylaniline
CID 43738989
2-ethoxy-N-(3-ethoxycyclobutyl)-4-fluoroaniline
CID 112568490

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxycyclobutyl)-3-methoxy-2,4-dimethylaniline?
The IUPAC name of N-(3-ethoxycyclobutyl)-3-methoxy-2,4-dimethylaniline (CID 112561854) is N-(3-ethoxycyclobutyl)-3-methoxy-2,4-dimethylaniline.
What is the SMILES notation for N-(3-ethoxycyclobutyl)-3-methoxy-2,4-dimethylaniline?
The canonical SMILES for N-(3-ethoxycyclobutyl)-3-methoxy-2,4-dimethylaniline is CCOC1CC(Nc2ccc(C)c(OC)c2C)C1.
What is the InChIKey of N-(3-ethoxycyclobutyl)-3-methoxy-2,4-dimethylaniline?
The InChIKey is CFQLFJWGCPBSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-18-13-8-12(9-13)16-14-7-6-10(2)15(17-4)11(14)3/h6-7,12-13,16H,5,8-9H2,1-4H3.
What are the key properties of N-(3-ethoxycyclobutyl)-3-methoxy-2,4-dimethylaniline?
N-(3-ethoxycyclobutyl)-3-methoxy-2,4-dimethylaniline has a molecular weight of 249.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxycyclobutyl)-3-methoxy-2,4-dimethylaniline is sourced from PubChem (CID 112561854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).