2,3,5-trifluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline

C17H16F3N — CID 63478572

IUPAC2,3,5-trifluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
SMILESCc1cccc(C2CC(Nc3cc(F)cc(F)c3F)C2)c1
InChIInChI=1S/C17H16F3N/c1-10-3-2-4-11(5-10)12-6-14(7-12)21-16-9-13(18)8-15(19)17(16)20/h2-5,8-9,12,14,21H,6-7H2,1H3
InChIKeyNEWTYZYPWAEVNH-UHFFFAOYSA-N
MW291.32 g/mol
LogP4.77
Rot. Bonds3

About 2,3,5-trifluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline

2,3,5-trifluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline (PubChem CID 63478572) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is 2,3,5-trifluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name2,3,5-trifluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
PubChem CID63478572
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name2,3,5-trifluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
SMILESCc1cccc(C2CC(Nc3cc(F)cc(F)c3F)C2)c1
InChIInChI=1S/C17H16F3N/c1-10-3-2-4-11(5-10)12-6-14(7-12)21-16-9-13(18)8-15(19)17(16)20/h2-5,8-9,12,14,21H,6-7H2,1H3
InChIKeyNEWTYZYPWAEVNH-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,3,5-trifluoro-N-(3-phenylcyclobutyl)aniline
CID 62810502
2-fluoro-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43634988
4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43633563
2-bromo-4,6-difluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43635256
5-bromo-2-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43635637
2-bromo-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 82761577
3-bromo-2-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 107630267
N-(3,5-dimethylcyclohexyl)-2,3,5-trifluoroaniline
CID 64750651
2,4-difluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633711
5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43635416
2-chloro-5-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 107527502
2-N,2-N-dimethyl-3-N-[3-(3-methylphenyl)cyclobutyl]pyridine-2,3-diamine
CID 43707968

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline?
The IUPAC name of 2,3,5-trifluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline (CID 63478572) is 2,3,5-trifluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline.
What is the SMILES notation for 2,3,5-trifluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline?
The canonical SMILES for 2,3,5-trifluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline is Cc1cccc(C2CC(Nc3cc(F)cc(F)c3F)C2)c1.
What is the InChIKey of 2,3,5-trifluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline?
The InChIKey is NEWTYZYPWAEVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N/c1-10-3-2-4-11(5-10)12-6-14(7-12)21-16-9-13(18)8-15(19)17(16)20/h2-5,8-9,12,14,21H,6-7H2,1H3.
What are the key properties of 2,3,5-trifluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline?
2,3,5-trifluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline has a molecular weight of 291.32 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline is sourced from PubChem (CID 63478572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).