1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine

C10H19F3N2O — CID 106872619

IUPAC1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESCOC1CCCC(CN)(NCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-16-8-3-2-4-9(5-8,6-14)15-7-10(11,12)13/h8,15H,2-7,14H2,1H3
InChIKeyAALNXVBXTOKZND-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.42
Rot. Bonds4

About 1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine

1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine (PubChem CID 106872619) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
PubChem CID106872619
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESCOC1CCCC(CN)(NCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-16-8-3-2-4-9(5-8,6-14)15-7-10(11,12)13/h8,15H,2-7,14H2,1H3
InChIKeyAALNXVBXTOKZND-UHFFFAOYSA-N
XLogP1.42
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine (CID 106872619) is 1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine is COC1CCCC(CN)(NCC(F)(F)F)C1.
What is the InChIKey of 1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The InChIKey is AALNXVBXTOKZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-16-8-3-2-4-9(5-8,6-14)15-7-10(11,12)13/h8,15H,2-7,14H2,1H3.
What are the key properties of 1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine has a molecular weight of 240.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine is sourced from PubChem (CID 106872619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).