2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutan-1-amine

C12H14F3N — CID 102756353

IUPAC2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
SMILESCc1cc(C(F)(F)F)ccc1C1CCC1N
InChIInChI=1S/C12H14F3N/c1-7-6-8(12(13,14)15)2-3-9(7)10-4-5-11(10)16/h2-3,6,10-11H,4-5,16H2,1H3
InChIKeyMSBPJWPHJZLQQJ-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.22
Rot. Bonds1

About 2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutan-1-amine

2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutan-1-amine (PubChem CID 102756353) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is 2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
PubChem CID102756353
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
SMILESCc1cc(C(F)(F)F)ccc1C1CCC1N
InChIInChI=1S/C12H14F3N/c1-7-6-8(12(13,14)15)2-3-9(7)10-4-5-11(10)16/h2-3,6,10-11H,4-5,16H2,1H3
InChIKeyMSBPJWPHJZLQQJ-UHFFFAOYSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 102756356
2-[2-methyl-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine
CID 102756361
N-[[2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutyl]methyl]propan-2-amine
CID 102756432
2-(4-fluoro-2-methylphenyl)cyclohexan-1-amine
CID 62801431
2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine
CID 103693387
2-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylcyclohexan-1-amine
CID 102755798
4-tert-butyl-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81013148
4-tert-butyl-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81014706
cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753522
cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754830
2-[2-methyl-4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid;hydrochloride
CID 140555403
trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine
CID 93299529

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutan-1-amine?
The IUPAC name of 2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutan-1-amine (CID 102756353) is 2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutan-1-amine is Cc1cc(C(F)(F)F)ccc1C1CCC1N.
What is the InChIKey of 2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutan-1-amine?
The InChIKey is MSBPJWPHJZLQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-7-6-8(12(13,14)15)2-3-9(7)10-4-5-11(10)16/h2-3,6,10-11H,4-5,16H2,1H3.
What are the key properties of 2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutan-1-amine?
2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutan-1-amine has a molecular weight of 229.25 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 102756353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).