2,6-dichloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)aniline

C15H21Cl2NO — CID 65467782

IUPAC2,6-dichloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)aniline
SMILESCCOC1CC(Nc2c(Cl)cccc2Cl)C1(C)CC
InChIInChI=1S/C15H21Cl2NO/c1-4-15(3)12(9-13(15)19-5-2)18-14-10(16)7-6-8-11(14)17/h6-8,12-13,18H,4-5,9H2,1-3H3
InChIKeyUSRMMXQAKRFYNH-UHFFFAOYSA-N
MW302.24 g/mol
LogP5.00
Rot. Bonds5

About 2,6-dichloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)aniline

2,6-dichloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)aniline (PubChem CID 65467782) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is 2,6-dichloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)aniline
PubChem CID65467782
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC Name2,6-dichloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)aniline
SMILESCCOC1CC(Nc2c(Cl)cccc2Cl)C1(C)CC
InChIInChI=1S/C15H21Cl2NO/c1-4-15(3)12(9-13(15)19-5-2)18-14-10(16)7-6-8-11(14)17/h6-8,12-13,18H,4-5,9H2,1-3H3
InChIKeyUSRMMXQAKRFYNH-UHFFFAOYSA-N
XLogP5.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 65468186
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-fluoropyridin-2-amine
CID 116812956
2,6-dichloro-4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]phenol
CID 107679223
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-ethynylaniline
CID 65170013
4-chloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-methylaniline
CID 65167941
2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 65469345
1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376095
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-methylsulfanylaniline
CID 65170411
3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]benzamide
CID 65167560
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)hydroxylamine
CID 82685490
3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine
CID 65170112
[3-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]phenyl]methanol
CID 107229736

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)aniline?
The IUPAC name of 2,6-dichloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)aniline (CID 65467782) is 2,6-dichloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)aniline.
What is the SMILES notation for 2,6-dichloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)aniline?
The canonical SMILES for 2,6-dichloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)aniline is CCOC1CC(Nc2c(Cl)cccc2Cl)C1(C)CC.
What is the InChIKey of 2,6-dichloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)aniline?
The InChIKey is USRMMXQAKRFYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-4-15(3)12(9-13(15)19-5-2)18-14-10(16)7-6-8-11(14)17/h6-8,12-13,18H,4-5,9H2,1-3H3.
What are the key properties of 2,6-dichloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)aniline?
2,6-dichloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)aniline has a molecular weight of 302.24 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)aniline is sourced from PubChem (CID 65467782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).