N-methyl-3-(2-methylphenyl)cyclobutan-1-amine;2,2,2-trifluoroacetic acid

C14H18F3NO2 — CID 175794662

IUPACN-methyl-3-(2-methylphenyl)cyclobutan-1-amine;2,2,2-trifluoroacetic acid
SMILESCNC1CC(c2ccccc2C)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H17N.C2HF3O2/c1-9-5-3-4-6-12(9)10-7-11(8-10)13-2;3-2(4,5)1(6)7/h3-6,10-11,13H,7-8H2,1-2H3;(H,6,7)
InChIKeyLDYYRQSUUXFAHG-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.09
Rot. Bonds2

About N-methyl-3-(2-methylphenyl)cyclobutan-1-amine;2,2,2-trifluoroacetic acid

N-methyl-3-(2-methylphenyl)cyclobutan-1-amine;2,2,2-trifluoroacetic acid (PubChem CID 175794662) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-methyl-3-(2-methylphenyl)cyclobutan-1-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-3-(2-methylphenyl)cyclobutan-1-amine;2,2,2-trifluoroacetic acid
PubChem CID175794662
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC NameN-methyl-3-(2-methylphenyl)cyclobutan-1-amine;2,2,2-trifluoroacetic acid
SMILESCNC1CC(c2ccccc2C)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H17N.C2HF3O2/c1-9-5-3-4-6-12(9)10-7-11(8-10)13-2;3-2(4,5)1(6)7/h3-6,10-11,13H,7-8H2,1-2H3;(H,6,7)
InChIKeyLDYYRQSUUXFAHG-UHFFFAOYSA-N
XLogP3.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
N-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634648
N-tert-butyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]acetamide
CID 115355956
2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43634045
2-[[3-(2-methylphenyl)cyclobutyl]amino]pentanoic acid
CID 122039850
3-(2-methylphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 103902696
3-(2-methylphenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine
CID 103529593
4-[[3-(2-methylphenyl)cyclobutyl]amino]benzamide
CID 43633223
3-(2-methylphenyl)cyclobutan-1-ol
CID 60792741
methyl (2S)-3-methyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]butanoate
CID 61142568
3-(2-methylphenyl)cyclopentane-1-carboxylic acid
CID 82282775
5-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43635417

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylphenyl)cyclobutan-1-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-3-(2-methylphenyl)cyclobutan-1-amine;2,2,2-trifluoroacetic acid (CID 175794662) is N-methyl-3-(2-methylphenyl)cyclobutan-1-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-3-(2-methylphenyl)cyclobutan-1-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-3-(2-methylphenyl)cyclobutan-1-amine;2,2,2-trifluoroacetic acid is CNC1CC(c2ccccc2C)C1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-3-(2-methylphenyl)cyclobutan-1-amine;2,2,2-trifluoroacetic acid?
The InChIKey is LDYYRQSUUXFAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C2HF3O2/c1-9-5-3-4-6-12(9)10-7-11(8-10)13-2;3-2(4,5)1(6)7/h3-6,10-11,13H,7-8H2,1-2H3;(H,6,7).
What are the key properties of N-methyl-3-(2-methylphenyl)cyclobutan-1-amine;2,2,2-trifluoroacetic acid?
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine;2,2,2-trifluoroacetic acid has a molecular weight of 289.30 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylphenyl)cyclobutan-1-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175794662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).