3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline

C17H18FN — CID 43633451

IUPAC3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline
SMILESCc1ccc(C2CC(Nc3cccc(F)c3)C2)cc1
InChIInChI=1S/C17H18FN/c1-12-5-7-13(8-6-12)14-9-17(10-14)19-16-4-2-3-15(18)11-16/h2-8,11,14,17,19H,9-10H2,1H3
InChIKeyXBWLDKBHQMEROM-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.49
Rot. Bonds3

About 3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline

3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline (PubChem CID 43633451) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline
PubChem CID43633451
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline
SMILESCc1ccc(C2CC(Nc3cccc(F)c3)C2)cc1
InChIInChI=1S/C17H18FN/c1-12-5-7-13(8-6-12)14-9-17(10-14)19-16-4-2-3-15(18)11-16/h2-8,11,14,17,19H,9-10H2,1H3
InChIKeyXBWLDKBHQMEROM-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-N,3-N-dimethyl-1-N-[3-(4-methylphenyl)cyclobutyl]benzene-1,3-diamine
CID 115376368
N-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline
CID 43633459
3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633456
3-[[3-(4-methylphenyl)cyclobutyl]amino]benzoic acid
CID 43635181
2-fluoro-4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol
CID 64795009
3-(methoxymethyl)-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43672267
3-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]-4-methylaniline
CID 43633782
1-N-[3-(4-fluorophenyl)cyclobutyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376458
3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline
CID 103560797
N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline
CID 43633962
3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43633887
4-bromo-N-[3-(3-fluorophenyl)cyclobutyl]-3-methylaniline
CID 43633146

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline?
The IUPAC name of 3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline (CID 43633451) is 3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline.
What is the SMILES notation for 3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline?
The canonical SMILES for 3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline is Cc1ccc(C2CC(Nc3cccc(F)c3)C2)cc1.
What is the InChIKey of 3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline?
The InChIKey is XBWLDKBHQMEROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-12-5-7-13(8-6-12)14-9-17(10-14)19-16-4-2-3-15(18)11-16/h2-8,11,14,17,19H,9-10H2,1H3.
What are the key properties of 3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline?
3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline has a molecular weight of 255.34 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline is sourced from PubChem (CID 43633451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).