N-methyl-1-[2-[[2-(trifluoromethyl)phenyl]methyl]cyclobutyl]methanamine

C14H18F3N — CID 112739507

IUPACN-methyl-1-[2-[[2-(trifluoromethyl)phenyl]methyl]cyclobutyl]methanamine
SMILESCNCC1CCC1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3N/c1-18-9-12-7-6-10(12)8-11-4-2-3-5-13(11)14(15,16)17/h2-5,10,12,18H,6-9H2,1H3
InChIKeyWEACITYAEROODH-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.49
Rot. Bonds4

About N-methyl-1-[2-[[2-(trifluoromethyl)phenyl]methyl]cyclobutyl]methanamine

N-methyl-1-[2-[[2-(trifluoromethyl)phenyl]methyl]cyclobutyl]methanamine (PubChem CID 112739507) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is N-methyl-1-[2-[[2-(trifluoromethyl)phenyl]methyl]cyclobutyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[[2-(trifluoromethyl)phenyl]methyl]cyclobutyl]methanamine
PubChem CID112739507
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-methyl-1-[2-[[2-(trifluoromethyl)phenyl]methyl]cyclobutyl]methanamine
SMILESCNCC1CCC1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3N/c1-18-9-12-7-6-10(12)8-11-4-2-3-5-13(11)14(15,16)17/h2-5,10,12,18H,6-9H2,1H3
InChIKeyWEACITYAEROODH-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[[2-(trifluoromethyl)phenyl]methyl]cyclobutyl]methanamine?
The IUPAC name of N-methyl-1-[2-[[2-(trifluoromethyl)phenyl]methyl]cyclobutyl]methanamine (CID 112739507) is N-methyl-1-[2-[[2-(trifluoromethyl)phenyl]methyl]cyclobutyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[[2-(trifluoromethyl)phenyl]methyl]cyclobutyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[[2-(trifluoromethyl)phenyl]methyl]cyclobutyl]methanamine is CNCC1CCC1Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-1-[2-[[2-(trifluoromethyl)phenyl]methyl]cyclobutyl]methanamine?
The InChIKey is WEACITYAEROODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-18-9-12-7-6-10(12)8-11-4-2-3-5-13(11)14(15,16)17/h2-5,10,12,18H,6-9H2,1H3.
What are the key properties of N-methyl-1-[2-[[2-(trifluoromethyl)phenyl]methyl]cyclobutyl]methanamine?
N-methyl-1-[2-[[2-(trifluoromethyl)phenyl]methyl]cyclobutyl]methanamine has a molecular weight of 257.30 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[[2-(trifluoromethyl)phenyl]methyl]cyclobutyl]methanamine is sourced from PubChem (CID 112739507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).