N-[1-(3-ethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

C15H28F3NO — CID 103215522

IUPACN-[1-(3-ethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)C1CCCC(CC)C1
InChIInChI=1S/C15H28F3NO/c1-3-8-19-14(10-20-11-15(16,17)18)13-7-5-6-12(4-2)9-13/h12-14,19H,3-11H2,1-2H3
InChIKeyZNOUWXDDOUIJBO-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.15
Rot. Bonds8

About N-[1-(3-ethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

N-[1-(3-ethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (PubChem CID 103215522) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[1-(3-ethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-ethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
PubChem CID103215522
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC NameN-[1-(3-ethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)C1CCCC(CC)C1
InChIInChI=1S/C15H28F3NO/c1-3-8-19-14(10-20-11-15(16,17)18)13-7-5-6-12(4-2)9-13/h12-14,19H,3-11H2,1-2H3
InChIKeyZNOUWXDDOUIJBO-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-ethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (CID 103215522) is N-[1-(3-ethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-ethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-ethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is CCCNC(COCC(F)(F)F)C1CCCC(CC)C1.
What is the InChIKey of N-[1-(3-ethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The InChIKey is ZNOUWXDDOUIJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-3-8-19-14(10-20-11-15(16,17)18)13-7-5-6-12(4-2)9-13/h12-14,19H,3-11H2,1-2H3.
What are the key properties of N-[1-(3-ethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
N-[1-(3-ethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 103215522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).