1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-N-methylmethanamine

C10H18F3NO — CID 84735668

IUPAC1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(OC)(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-14-7-8-3-5-9(15-2,6-4-8)10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyTXGDTHCTETUNEV-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.34
Rot. Bonds3

About 1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-N-methylmethanamine

1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-N-methylmethanamine (PubChem CID 84735668) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-N-methylmethanamine
PubChem CID84735668
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(OC)(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-14-7-8-3-5-9(15-2,6-4-8)10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyTXGDTHCTETUNEV-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-N-methylmethanamine (CID 84735668) is 1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-N-methylmethanamine is CNCC1CCC(OC)(C(F)(F)F)CC1.
What is the InChIKey of 1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is TXGDTHCTETUNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-14-7-8-3-5-9(15-2,6-4-8)10(11,12)13/h8,14H,3-7H2,1-2H3.
What are the key properties of 1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-N-methylmethanamine?
1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 225.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 84735668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).