5-chloro-2-ethoxy-N-(3-ethoxy-2,2-dimethylcyclobutyl)aniline

C16H24ClNO2 — CID 64853292

IUPAC5-chloro-2-ethoxy-N-(3-ethoxy-2,2-dimethylcyclobutyl)aniline
SMILESCCOc1ccc(Cl)cc1NC1CC(OCC)C1(C)C
InChIInChI=1S/C16H24ClNO2/c1-5-19-13-8-7-11(17)9-12(13)18-14-10-15(20-6-2)16(14,3)4/h7-9,14-15,18H,5-6,10H2,1-4H3
InChIKeyWXWUCGRLQNHFHH-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.35
Rot. Bonds6

About 5-chloro-2-ethoxy-N-(3-ethoxy-2,2-dimethylcyclobutyl)aniline

5-chloro-2-ethoxy-N-(3-ethoxy-2,2-dimethylcyclobutyl)aniline (PubChem CID 64853292) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-N-(3-ethoxy-2,2-dimethylcyclobutyl)aniline.

Molecular Properties

Compound Name5-chloro-2-ethoxy-N-(3-ethoxy-2,2-dimethylcyclobutyl)aniline
PubChem CID64853292
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name5-chloro-2-ethoxy-N-(3-ethoxy-2,2-dimethylcyclobutyl)aniline
SMILESCCOc1ccc(Cl)cc1NC1CC(OCC)C1(C)C
InChIInChI=1S/C16H24ClNO2/c1-5-19-13-8-7-11(17)9-12(13)18-14-10-15(20-6-2)16(14,3)4/h7-9,14-15,18H,5-6,10H2,1-4H3
InChIKeyWXWUCGRLQNHFHH-UHFFFAOYSA-N
XLogP4.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-ethoxy-N-(3-ethoxy-2,2-dimethylcyclobutyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 64851917
4-chloro-2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]benzonitrile
CID 64686504
2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-methylaniline
CID 107630674
[2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol
CID 64851150
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoroaniline
CID 64851695
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoro-4-methylaniline
CID 64853264
N-(5-chloro-2-ethoxyphenyl)cycloheptanamine
CID 55191401
5-chloro-2-ethoxy-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63450861
4-chloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-methylaniline
CID 65167941
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline
CID 64852282
2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-fluorobenzene-1,2-diamine
CID 114118711
4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylaniline
CID 64850520

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-N-(3-ethoxy-2,2-dimethylcyclobutyl)aniline?
The IUPAC name of 5-chloro-2-ethoxy-N-(3-ethoxy-2,2-dimethylcyclobutyl)aniline (CID 64853292) is 5-chloro-2-ethoxy-N-(3-ethoxy-2,2-dimethylcyclobutyl)aniline.
What is the SMILES notation for 5-chloro-2-ethoxy-N-(3-ethoxy-2,2-dimethylcyclobutyl)aniline?
The canonical SMILES for 5-chloro-2-ethoxy-N-(3-ethoxy-2,2-dimethylcyclobutyl)aniline is CCOc1ccc(Cl)cc1NC1CC(OCC)C1(C)C.
What is the InChIKey of 5-chloro-2-ethoxy-N-(3-ethoxy-2,2-dimethylcyclobutyl)aniline?
The InChIKey is WXWUCGRLQNHFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-5-19-13-8-7-11(17)9-12(13)18-14-10-15(20-6-2)16(14,3)4/h7-9,14-15,18H,5-6,10H2,1-4H3.
What are the key properties of 5-chloro-2-ethoxy-N-(3-ethoxy-2,2-dimethylcyclobutyl)aniline?
5-chloro-2-ethoxy-N-(3-ethoxy-2,2-dimethylcyclobutyl)aniline has a molecular weight of 297.83 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxy-N-(3-ethoxy-2,2-dimethylcyclobutyl)aniline is sourced from PubChem (CID 64853292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).