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

C14H26F3NO — CID 103215515

IUPACN-[1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)C1CCCC(C)C1
InChIInChI=1S/C14H26F3NO/c1-3-7-18-13(9-19-10-14(15,16)17)12-6-4-5-11(2)8-12/h11-13,18H,3-10H2,1-2H3
InChIKeyJUTBRUPPYHWPSY-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.76
Rot. Bonds7

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

N-[1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (PubChem CID 103215515) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
PubChem CID103215515
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-[1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)C1CCCC(C)C1
InChIInChI=1S/C14H26F3NO/c1-3-7-18-13(9-19-10-14(15,16)17)12-6-4-5-11(2)8-12/h11-13,18H,3-10H2,1-2H3
InChIKeyJUTBRUPPYHWPSY-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (CID 103215515) is N-[1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is CCCNC(COCC(F)(F)F)C1CCCC(C)C1.
What is the InChIKey of N-[1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The InChIKey is JUTBRUPPYHWPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-3-7-18-13(9-19-10-14(15,16)17)12-6-4-5-11(2)8-12/h11-13,18H,3-10H2,1-2H3.
What are the key properties of N-[1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
N-[1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 103215515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).