2-(3,5-difluorophenoxy)-4-ethyl-N-methylcyclohexan-1-amine

C15H21F2NO — CID 55112524

IUPAC2-(3,5-difluorophenoxy)-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(NC)C(Oc2cc(F)cc(F)c2)C1
InChIInChI=1S/C15H21F2NO/c1-3-10-4-5-14(18-2)15(6-10)19-13-8-11(16)7-12(17)9-13/h7-10,14-15,18H,3-6H2,1-2H3
InChIKeySWBZLLOPUVYAKX-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.51
Rot. Bonds4

About 2-(3,5-difluorophenoxy)-4-ethyl-N-methylcyclohexan-1-amine

2-(3,5-difluorophenoxy)-4-ethyl-N-methylcyclohexan-1-amine (PubChem CID 55112524) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(3,5-difluorophenoxy)-4-ethyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,5-difluorophenoxy)-4-ethyl-N-methylcyclohexan-1-amine
PubChem CID55112524
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2-(3,5-difluorophenoxy)-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(NC)C(Oc2cc(F)cc(F)c2)C1
InChIInChI=1S/C15H21F2NO/c1-3-10-4-5-14(18-2)15(6-10)19-13-8-11(16)7-12(17)9-13/h7-10,14-15,18H,3-6H2,1-2H3
InChIKeySWBZLLOPUVYAKX-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenoxy)-4-ethyl-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(3,5-difluorophenoxy)-4-ethyl-N-methylcyclohexan-1-amine (CID 55112524) is 2-(3,5-difluorophenoxy)-4-ethyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,5-difluorophenoxy)-4-ethyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(3,5-difluorophenoxy)-4-ethyl-N-methylcyclohexan-1-amine is CCC1CCC(NC)C(Oc2cc(F)cc(F)c2)C1.
What is the InChIKey of 2-(3,5-difluorophenoxy)-4-ethyl-N-methylcyclohexan-1-amine?
The InChIKey is SWBZLLOPUVYAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-3-10-4-5-14(18-2)15(6-10)19-13-8-11(16)7-12(17)9-13/h7-10,14-15,18H,3-6H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenoxy)-4-ethyl-N-methylcyclohexan-1-amine?
2-(3,5-difluorophenoxy)-4-ethyl-N-methylcyclohexan-1-amine has a molecular weight of 269.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenoxy)-4-ethyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 55112524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).