3-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline

C17H17ClFN — CID 43635005

IUPAC3-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
SMILESCc1ccccc1C1CC(Nc2cccc(Cl)c2F)C1
InChIInChI=1S/C17H17ClFN/c1-11-5-2-3-6-14(11)12-9-13(10-12)20-16-8-4-7-15(18)17(16)19/h2-8,12-13,20H,9-10H2,1H3
InChIKeyUUKKYYBHTZOEBX-UHFFFAOYSA-N
MW289.78 g/mol
LogP5.15
Rot. Bonds3

About 3-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline

3-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline (PubChem CID 43635005) has the molecular formula C17H17ClFN and a molecular weight of 289.78 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
PubChem CID43635005
Molecular FormulaC17H17ClFN
Molecular Weight289.78 g/mol
Exact Mass289.10
IUPAC Name3-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
SMILESCc1ccccc1C1CC(Nc2cccc(Cl)c2F)C1
InChIInChI=1S/C17H17ClFN/c1-11-5-2-3-6-14(11)12-9-13(10-12)20-16-8-4-7-15(18)17(16)19/h2-8,12-13,20H,9-10H2,1H3
InChIKeyUUKKYYBHTZOEBX-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.78
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43634045
5-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43635417
3-chloro-2-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43634997
2-[[3-(2-chlorophenyl)cyclobutyl]amino]-6-methylbenzonitrile
CID 107803326
2-methyl-6-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile
CID 107803329
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
3-chloro-N-cyclohexyl-2-fluoroaniline
CID 28968819
2-chloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline
CID 43633569
N-[3-(2-methylphenyl)cyclobutyl]-2-propylaniline
CID 43687449
2,3-dichloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline
CID 43634904
4-(3-chloro-2-fluoroanilino)cyclohexan-1-ol
CID 106593601
N-[3-(2-chlorophenyl)cyclobutyl]-3,4,5-trifluoroaniline
CID 63478402

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline?
The IUPAC name of 3-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline (CID 43635005) is 3-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline.
What is the SMILES notation for 3-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline?
The canonical SMILES for 3-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline is Cc1ccccc1C1CC(Nc2cccc(Cl)c2F)C1.
What is the InChIKey of 3-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline?
The InChIKey is UUKKYYBHTZOEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN/c1-11-5-2-3-6-14(11)12-9-13(10-12)20-16-8-4-7-15(18)17(16)19/h2-8,12-13,20H,9-10H2,1H3.
What are the key properties of 3-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline?
3-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline has a molecular weight of 289.78 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline is sourced from PubChem (CID 43635005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).