4-chloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-methylaniline

C16H24ClNO — CID 65167941

IUPAC4-chloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-methylaniline
SMILESCCOC1CC(Nc2ccc(Cl)cc2C)C1(C)CC
InChIInChI=1S/C16H24ClNO/c1-5-16(4)14(10-15(16)19-6-2)18-13-8-7-12(17)9-11(13)3/h7-9,14-15,18H,5-6,10H2,1-4H3
InChIKeyMXUCKXBPKUUURX-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.65
Rot. Bonds5

About 4-chloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-methylaniline

4-chloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-methylaniline (PubChem CID 65167941) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 4-chloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-methylaniline.

Molecular Properties

Compound Name4-chloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-methylaniline
PubChem CID65167941
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name4-chloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-methylaniline
SMILESCCOC1CC(Nc2ccc(Cl)cc2C)C1(C)CC
InChIInChI=1S/C16H24ClNO/c1-5-16(4)14(10-15(16)19-6-2)18-13-8-7-12(17)9-11(13)3/h7-9,14-15,18H,5-6,10H2,1-4H3
InChIKeyMXUCKXBPKUUURX-UHFFFAOYSA-N
XLogP4.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-fluoro-2-methylaniline
CID 65168180
N-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64864030
4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-3-methylbenzamide
CID 65167864
2,6-dichloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)aniline
CID 65467782
4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylaniline
CID 64850520
2,6-dichloro-4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]phenol
CID 107679223
5-bromo-2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]benzonitrile
CID 82708652
5-chloro-2-ethoxy-N-(3-ethoxy-2,2-dimethylcyclobutyl)aniline
CID 64853292
4-bromo-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-nitroaniline
CID 65168016
4-chloro-2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 64851917
N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295516
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methyl-4-nitroaniline
CID 64851910

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-methylaniline?
The IUPAC name of 4-chloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-methylaniline (CID 65167941) is 4-chloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-methylaniline.
What is the SMILES notation for 4-chloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-methylaniline?
The canonical SMILES for 4-chloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-methylaniline is CCOC1CC(Nc2ccc(Cl)cc2C)C1(C)CC.
What is the InChIKey of 4-chloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-methylaniline?
The InChIKey is MXUCKXBPKUUURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-5-16(4)14(10-15(16)19-6-2)18-13-8-7-12(17)9-11(13)3/h7-9,14-15,18H,5-6,10H2,1-4H3.
What are the key properties of 4-chloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-methylaniline?
4-chloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-methylaniline has a molecular weight of 281.83 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-methylaniline is sourced from PubChem (CID 65167941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).