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

C16H23ClFNO — CID 64851950

IUPAC2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoroaniline
SMILESCC(C)COC1CC(Nc2ccc(F)cc2Cl)C1(C)C
InChIInChI=1S/C16H23ClFNO/c1-10(2)9-20-15-8-14(16(15,3)4)19-13-6-5-11(18)7-12(13)17/h5-7,10,14-15,19H,8-9H2,1-4H3
InChIKeyUJCFEWHSHSXPPM-UHFFFAOYSA-N
MW299.82 g/mol
LogP4.73
Rot. Bonds5

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

2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoroaniline (PubChem CID 64851950) has the molecular formula C16H23ClFNO and a molecular weight of 299.82 g/mol. Its IUPAC name is 2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoroaniline
PubChem CID64851950
Molecular FormulaC16H23ClFNO
Molecular Weight299.82 g/mol
Exact Mass299.15
IUPAC Name2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoroaniline
SMILESCC(C)COC1CC(Nc2ccc(F)cc2Cl)C1(C)C
InChIInChI=1S/C16H23ClFNO/c1-10(2)9-20-15-8-14(16(15,3)4)19-13-6-5-11(18)7-12(13)17/h5-7,10,14-15,19H,8-9H2,1-4H3
InChIKeyUJCFEWHSHSXPPM-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoroaniline?
The IUPAC name of 2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoroaniline (CID 64851950) is 2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoroaniline.
What is the SMILES notation for 2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoroaniline?
The canonical SMILES for 2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoroaniline is CC(C)COC1CC(Nc2ccc(F)cc2Cl)C1(C)C.
What is the InChIKey of 2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoroaniline?
The InChIKey is UJCFEWHSHSXPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO/c1-10(2)9-20-15-8-14(16(15,3)4)19-13-6-5-11(18)7-12(13)17/h5-7,10,14-15,19H,8-9H2,1-4H3.
What are the key properties of 2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoroaniline?
2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-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 2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoroaniline is sourced from PubChem (CID 64851950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).