4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-fluoroaniline

C16H23ClFNO — CID 64851379

IUPAC4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-fluoroaniline
SMILESCC(C)COC1CC(Nc2ccc(Cl)c(F)c2)C1(C)C
InChIInChI=1S/C16H23ClFNO/c1-10(2)9-20-15-8-14(16(15,3)4)19-11-5-6-12(17)13(18)7-11/h5-7,10,14-15,19H,8-9H2,1-4H3
InChIKeyWIKJCGZLDROBEB-UHFFFAOYSA-N
MW299.82 g/mol
LogP4.73
Rot. Bonds5

About 4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-fluoroaniline

4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-fluoroaniline (PubChem CID 64851379) has the molecular formula C16H23ClFNO and a molecular weight of 299.82 g/mol. Its IUPAC name is 4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-fluoroaniline.

Molecular Properties

Compound Name4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-fluoroaniline
PubChem CID64851379
Molecular FormulaC16H23ClFNO
Molecular Weight299.82 g/mol
Exact Mass299.15
IUPAC Name4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-fluoroaniline
SMILESCC(C)COC1CC(Nc2ccc(Cl)c(F)c2)C1(C)C
InChIInChI=1S/C16H23ClFNO/c1-10(2)9-20-15-8-14(16(15,3)4)19-11-5-6-12(17)13(18)7-11/h5-7,10,14-15,19H,8-9H2,1-4H3
InChIKeyWIKJCGZLDROBEB-UHFFFAOYSA-N
XLogP4.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methoxyaniline
CID 107621176
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoro-3-methylaniline
CID 64851194
4-bromo-3-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 107619177
2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 65469345
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline
CID 64852729
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline
CID 64853119
4-bromo-2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 64851756
2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methylaniline
CID 64851175
[3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]phenyl]methanol
CID 64850786
4-bromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline
CID 107609719
4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]benzoic acid
CID 64852146
N-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295443

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-fluoroaniline?
The IUPAC name of 4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-fluoroaniline (CID 64851379) is 4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-fluoroaniline.
What is the SMILES notation for 4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-fluoroaniline?
The canonical SMILES for 4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-fluoroaniline is CC(C)COC1CC(Nc2ccc(Cl)c(F)c2)C1(C)C.
What is the InChIKey of 4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-fluoroaniline?
The InChIKey is WIKJCGZLDROBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO/c1-10(2)9-20-15-8-14(16(15,3)4)19-11-5-6-12(17)13(18)7-11/h5-7,10,14-15,19H,8-9H2,1-4H3.
What are the key properties of 4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-fluoroaniline?
4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-fluoroaniline has a molecular weight of 299.82 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-fluoroaniline is sourced from PubChem (CID 64851379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).