4-(2-aminoethoxy)-4-(trifluoromethyl)cyclohexan-1-amine

C9H17F3N2O — CID 167064930

IUPAC4-(2-aminoethoxy)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNCCOC1(C(F)(F)F)CCC(N)CC1
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)8(15-6-5-13)3-1-7(14)2-4-8/h7H,1-6,13-14H2
InChIKeyMNIHSRMGCQNJGX-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.16
Rot. Bonds3

About 4-(2-aminoethoxy)-4-(trifluoromethyl)cyclohexan-1-amine

4-(2-aminoethoxy)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 167064930) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-aminoethoxy)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID167064930
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name4-(2-aminoethoxy)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNCCOC1(C(F)(F)F)CCC(N)CC1
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)8(15-6-5-13)3-1-7(14)2-4-8/h7H,1-6,13-14H2
InChIKeyMNIHSRMGCQNJGX-UHFFFAOYSA-N
XLogP1.16
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 4-(2-aminoethoxy)-4-(trifluoromethyl)cyclohexan-1-amine (CID 167064930) is 4-(2-aminoethoxy)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-aminoethoxy)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 4-(2-aminoethoxy)-4-(trifluoromethyl)cyclohexan-1-amine is NCCOC1(C(F)(F)F)CCC(N)CC1.
What is the InChIKey of 4-(2-aminoethoxy)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is MNIHSRMGCQNJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c10-9(11,12)8(15-6-5-13)3-1-7(14)2-4-8/h7H,1-6,13-14H2.
What are the key properties of 4-(2-aminoethoxy)-4-(trifluoromethyl)cyclohexan-1-amine?
4-(2-aminoethoxy)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 226.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 167064930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).