2-(2,3-difluorophenoxy)-N,4-diethylcyclohexan-1-amine

C16H23F2NO — CID 63036050

IUPAC2-(2,3-difluorophenoxy)-N,4-diethylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1Oc1cccc(F)c1F
InChIInChI=1S/C16H23F2NO/c1-3-11-8-9-13(19-4-2)15(10-11)20-14-7-5-6-12(17)16(14)18/h5-7,11,13,15,19H,3-4,8-10H2,1-2H3
InChIKeyUSLJDYBUVUQWOD-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.90
Rot. Bonds5

About 2-(2,3-difluorophenoxy)-N,4-diethylcyclohexan-1-amine

2-(2,3-difluorophenoxy)-N,4-diethylcyclohexan-1-amine (PubChem CID 63036050) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(2,3-difluorophenoxy)-N,4-diethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,3-difluorophenoxy)-N,4-diethylcyclohexan-1-amine
PubChem CID63036050
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name2-(2,3-difluorophenoxy)-N,4-diethylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1Oc1cccc(F)c1F
InChIInChI=1S/C16H23F2NO/c1-3-11-8-9-13(19-4-2)15(10-11)20-14-7-5-6-12(17)16(14)18/h5-7,11,13,15,19H,3-4,8-10H2,1-2H3
InChIKeyUSLJDYBUVUQWOD-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenoxy)-N,4-diethylcyclohexan-1-amine?
The IUPAC name of 2-(2,3-difluorophenoxy)-N,4-diethylcyclohexan-1-amine (CID 63036050) is 2-(2,3-difluorophenoxy)-N,4-diethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,3-difluorophenoxy)-N,4-diethylcyclohexan-1-amine?
The canonical SMILES for 2-(2,3-difluorophenoxy)-N,4-diethylcyclohexan-1-amine is CCNC1CCC(CC)CC1Oc1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenoxy)-N,4-diethylcyclohexan-1-amine?
The InChIKey is USLJDYBUVUQWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-3-11-8-9-13(19-4-2)15(10-11)20-14-7-5-6-12(17)16(14)18/h5-7,11,13,15,19H,3-4,8-10H2,1-2H3.
What are the key properties of 2-(2,3-difluorophenoxy)-N,4-diethylcyclohexan-1-amine?
2-(2,3-difluorophenoxy)-N,4-diethylcyclohexan-1-amine has a molecular weight of 283.36 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenoxy)-N,4-diethylcyclohexan-1-amine is sourced from PubChem (CID 63036050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).