1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine

C12H23F3N2O — CID 64754487

IUPAC1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCCN(C)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2O/c1-17(7-8-18-2)11(9-16)5-3-10(4-6-11)12(13,14)15/h10H,3-9,16H2,1-2H3
InChIKeyPEYSAOFGPJIZNX-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.01
Rot. Bonds5

About 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64754487) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64754487
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCCN(C)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2O/c1-17(7-8-18-2)11(9-16)5-3-10(4-6-11)12(13,14)15/h10H,3-9,16H2,1-2H3
InChIKeyPEYSAOFGPJIZNX-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine (CID 64754487) is 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine is COCCN(C)C1(CN)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is PEYSAOFGPJIZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-17(7-8-18-2)11(9-16)5-3-10(4-6-11)12(13,14)15/h10H,3-9,16H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 268.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64754487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).