3-methoxy-N-methyl-1-(trifluoromethyl)cyclohexan-1-amine

C9H16F3NO — CID 106874353

IUPAC3-methoxy-N-methyl-1-(trifluoromethyl)cyclohexan-1-amine
SMILESCNC1(C(F)(F)F)CCCC(OC)C1
InChIInChI=1S/C9H16F3NO/c1-13-8(9(10,11)12)5-3-4-7(6-8)14-2/h7,13H,3-6H2,1-2H3
InChIKeyBQZBJHQIOKSHBY-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.10
Rot. Bonds2

About 3-methoxy-N-methyl-1-(trifluoromethyl)cyclohexan-1-amine

3-methoxy-N-methyl-1-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 106874353) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-methoxy-N-methyl-1-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-1-(trifluoromethyl)cyclohexan-1-amine
PubChem CID106874353
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-methoxy-N-methyl-1-(trifluoromethyl)cyclohexan-1-amine
SMILESCNC1(C(F)(F)F)CCCC(OC)C1
InChIInChI=1S/C9H16F3NO/c1-13-8(9(10,11)12)5-3-4-7(6-8)14-2/h7,13H,3-6H2,1-2H3
InChIKeyBQZBJHQIOKSHBY-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-1-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-1-(trifluoromethyl)cyclohexan-1-amine (CID 106874353) is 3-methoxy-N-methyl-1-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-1-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-1-(trifluoromethyl)cyclohexan-1-amine is CNC1(C(F)(F)F)CCCC(OC)C1.
What is the InChIKey of 3-methoxy-N-methyl-1-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is BQZBJHQIOKSHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-13-8(9(10,11)12)5-3-4-7(6-8)14-2/h7,13H,3-6H2,1-2H3.
What are the key properties of 3-methoxy-N-methyl-1-(trifluoromethyl)cyclohexan-1-amine?
3-methoxy-N-methyl-1-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-1-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 106874353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).