N-[3-(4-fluorophenyl)cyclobutyl]-2,4-dimethylaniline

C18H20FN — CID 43632560

IUPACN-[3-(4-fluorophenyl)cyclobutyl]-2,4-dimethylaniline
SMILESCc1ccc(NC2CC(c3ccc(F)cc3)C2)c(C)c1
InChIInChI=1S/C18H20FN/c1-12-3-8-18(13(2)9-12)20-17-10-15(11-17)14-4-6-16(19)7-5-14/h3-9,15,17,20H,10-11H2,1-2H3
InChIKeyHIVSRGFGUSMTMY-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.80
Rot. Bonds3

About N-[3-(4-fluorophenyl)cyclobutyl]-2,4-dimethylaniline

N-[3-(4-fluorophenyl)cyclobutyl]-2,4-dimethylaniline (PubChem CID 43632560) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)cyclobutyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)cyclobutyl]-2,4-dimethylaniline
PubChem CID43632560
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC NameN-[3-(4-fluorophenyl)cyclobutyl]-2,4-dimethylaniline
SMILESCc1ccc(NC2CC(c3ccc(F)cc3)C2)c(C)c1
InChIInChI=1S/C18H20FN/c1-12-3-8-18(13(2)9-12)20-17-10-15(11-17)14-4-6-16(19)7-5-14/h3-9,15,17,20H,10-11H2,1-2H3
InChIKeyHIVSRGFGUSMTMY-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline
CID 43633732
5-bromo-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline
CID 43729668
4-chloro-2-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]aniline
CID 43716640
N-[3-(4-chlorophenyl)cyclobutyl]-4-iodo-2-methylaniline
CID 43717158
4-bromo-N-[3-(4-chlorophenyl)cyclobutyl]-2-methylaniline
CID 43633029
2-fluoro-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43634988
4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43633563
3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43633451
4-fluoro-N-(3-methoxycyclobutyl)-2-methylaniline
CID 104870486
N-[3-(4-bromophenyl)cyclobutyl]-4-methoxy-2-methylaniline
CID 63477720
3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine
CID 79462336
3-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
CID 60946183

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)cyclobutyl]-2,4-dimethylaniline?
The IUPAC name of N-[3-(4-fluorophenyl)cyclobutyl]-2,4-dimethylaniline (CID 43632560) is N-[3-(4-fluorophenyl)cyclobutyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[3-(4-fluorophenyl)cyclobutyl]-2,4-dimethylaniline?
The canonical SMILES for N-[3-(4-fluorophenyl)cyclobutyl]-2,4-dimethylaniline is Cc1ccc(NC2CC(c3ccc(F)cc3)C2)c(C)c1.
What is the InChIKey of N-[3-(4-fluorophenyl)cyclobutyl]-2,4-dimethylaniline?
The InChIKey is HIVSRGFGUSMTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-12-3-8-18(13(2)9-12)20-17-10-15(11-17)14-4-6-16(19)7-5-14/h3-9,15,17,20H,10-11H2,1-2H3.
What are the key properties of N-[3-(4-fluorophenyl)cyclobutyl]-2,4-dimethylaniline?
N-[3-(4-fluorophenyl)cyclobutyl]-2,4-dimethylaniline has a molecular weight of 269.36 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)cyclobutyl]-2,4-dimethylaniline is sourced from PubChem (CID 43632560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).