1-[2-methyl-3-(trifluoromethyl)cyclohexyl]ethanamine

C10H18F3N — CID 142383039

IUPAC1-[2-methyl-3-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCC(N)C1CCCC(C(F)(F)F)C1C
InChIInChI=1S/C10H18F3N/c1-6-8(7(2)14)4-3-5-9(6)10(11,12)13/h6-9H,3-5,14H2,1-2H3
InChIKeyCPTTWIYPSXZKOX-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.95
Rot. Bonds1

About 1-[2-methyl-3-(trifluoromethyl)cyclohexyl]ethanamine

1-[2-methyl-3-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 142383039) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[2-methyl-3-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name1-[2-methyl-3-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID142383039
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name1-[2-methyl-3-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCC(N)C1CCCC(C(F)(F)F)C1C
InChIInChI=1S/C10H18F3N/c1-6-8(7(2)14)4-3-5-9(6)10(11,12)13/h6-9H,3-5,14H2,1-2H3
InChIKeyCPTTWIYPSXZKOX-UHFFFAOYSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 1-[2-methyl-3-(trifluoromethyl)cyclohexyl]ethanamine (CID 142383039) is 1-[2-methyl-3-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 1-[2-methyl-3-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 1-[2-methyl-3-(trifluoromethyl)cyclohexyl]ethanamine is CC(N)C1CCCC(C(F)(F)F)C1C.
What is the InChIKey of 1-[2-methyl-3-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is CPTTWIYPSXZKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-6-8(7(2)14)4-3-5-9(6)10(11,12)13/h6-9H,3-5,14H2,1-2H3.
What are the key properties of 1-[2-methyl-3-(trifluoromethyl)cyclohexyl]ethanamine?
1-[2-methyl-3-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 209.25 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 142383039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).