3,5-difluoro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline

C17H17F2NO — CID 43633870

IUPAC3,5-difluoro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
SMILESCOc1ccc(C2CC(Nc3cc(F)cc(F)c3)C2)cc1
InChIInChI=1S/C17H17F2NO/c1-21-17-4-2-11(3-5-17)12-6-15(7-12)20-16-9-13(18)8-14(19)10-16/h2-5,8-10,12,15,20H,6-7H2,1H3
InChIKeyCLEQHKNVVALONL-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.33
Rot. Bonds4

About 3,5-difluoro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline

3,5-difluoro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline (PubChem CID 43633870) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is 3,5-difluoro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name3,5-difluoro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
PubChem CID43633870
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name3,5-difluoro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
SMILESCOc1ccc(C2CC(Nc3cc(F)cc(F)c3)C2)cc1
InChIInChI=1S/C17H17F2NO/c1-21-17-4-2-11(3-5-17)12-6-15(7-12)20-16-9-13(18)8-14(19)10-16/h2-5,8-10,12,15,20H,6-7H2,1H3
InChIKeyCLEQHKNVVALONL-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
CID 43633435
N-[3-(4-methoxyphenyl)cyclobutyl]thiophen-3-amine
CID 66352292
3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633456
3-ethyl-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
CID 43633885
N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline
CID 43633962
N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylsulfanylaniline
CID 43683508
3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43633451
N-[3-(4-methoxyphenyl)cyclobutyl]cyclooctanamine
CID 43633186
N-[3-(4-bromophenyl)cyclobutyl]-4-methoxy-2-methylaniline
CID 63477720
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
3-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-5-fluoroaniline
CID 107364256
N-[3-(4-methoxyphenyl)cyclobutyl]piperidin-1-amine
CID 83007160

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline?
The IUPAC name of 3,5-difluoro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline (CID 43633870) is 3,5-difluoro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline.
What is the SMILES notation for 3,5-difluoro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline?
The canonical SMILES for 3,5-difluoro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline is COc1ccc(C2CC(Nc3cc(F)cc(F)c3)C2)cc1.
What is the InChIKey of 3,5-difluoro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline?
The InChIKey is CLEQHKNVVALONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-21-17-4-2-11(3-5-17)12-6-15(7-12)20-16-9-13(18)8-14(19)10-16/h2-5,8-10,12,15,20H,6-7H2,1H3.
What are the key properties of 3,5-difluoro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline?
3,5-difluoro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline has a molecular weight of 289.33 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline is sourced from PubChem (CID 43633870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).