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

C11H20F3NO — CID 106874357

IUPAC3-methoxy-N-propyl-1-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCNC1(C(F)(F)F)CCCC(OC)C1
InChIInChI=1S/C11H20F3NO/c1-3-7-15-10(11(12,13)14)6-4-5-9(8-10)16-2/h9,15H,3-8H2,1-2H3
InChIKeyBNRFPIIEVJINOH-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds4

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

3-methoxy-N-propyl-1-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 106874357) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-methoxy-N-propyl-1-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-propyl-1-(trifluoromethyl)cyclohexan-1-amine
PubChem CID106874357
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name3-methoxy-N-propyl-1-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCNC1(C(F)(F)F)CCCC(OC)C1
InChIInChI=1S/C11H20F3NO/c1-3-7-15-10(11(12,13)14)6-4-5-9(8-10)16-2/h9,15H,3-8H2,1-2H3
InChIKeyBNRFPIIEVJINOH-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-propyl-1-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 3-methoxy-N-propyl-1-(trifluoromethyl)cyclohexan-1-amine (CID 106874357) is 3-methoxy-N-propyl-1-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-methoxy-N-propyl-1-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 3-methoxy-N-propyl-1-(trifluoromethyl)cyclohexan-1-amine is CCCNC1(C(F)(F)F)CCCC(OC)C1.
What is the InChIKey of 3-methoxy-N-propyl-1-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is BNRFPIIEVJINOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-3-7-15-10(11(12,13)14)6-4-5-9(8-10)16-2/h9,15H,3-8H2,1-2H3.
What are the key properties of 3-methoxy-N-propyl-1-(trifluoromethyl)cyclohexan-1-amine?
3-methoxy-N-propyl-1-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propyl-1-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 106874357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).