6-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine

C16H23F2NO — CID 79837054

IUPAC6-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(Oc2ccc(F)cc2F)CCCC1(C)C
InChIInChI=1S/C16H23F2NO/c1-4-19-15-14(6-5-9-16(15,2)3)20-13-8-7-11(17)10-12(13)18/h7-8,10,14-15,19H,4-6,9H2,1-3H3
InChIKeyZMDDCBBPMPUCGX-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.90
Rot. Bonds4

About 6-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine

6-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine (PubChem CID 79837054) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
PubChem CID79837054
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name6-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(Oc2ccc(F)cc2F)CCCC1(C)C
InChIInChI=1S/C16H23F2NO/c1-4-19-15-14(6-5-9-16(15,2)3)20-13-8-7-11(17)10-12(13)18/h7-8,10,14-15,19H,4-6,9H2,1-3H3
InChIKeyZMDDCBBPMPUCGX-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 6-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine (CID 79837054) is 6-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine is CCNC1C(Oc2ccc(F)cc2F)CCCC1(C)C.
What is the InChIKey of 6-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The InChIKey is ZMDDCBBPMPUCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-4-19-15-14(6-5-9-16(15,2)3)20-13-8-7-11(17)10-12(13)18/h7-8,10,14-15,19H,4-6,9H2,1-3H3.
What are the key properties of 6-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
6-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine has a molecular weight of 283.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79837054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).