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

C16H23F2NO — CID 63499477

IUPAC2-(3,5-difluorophenoxy)-N,4-diethylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1Oc1cc(F)cc(F)c1
InChIInChI=1S/C16H23F2NO/c1-3-11-5-6-15(19-4-2)16(7-11)20-14-9-12(17)8-13(18)10-14/h8-11,15-16,19H,3-7H2,1-2H3
InChIKeyVPUQHSBTSGBACM-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.90
Rot. Bonds5

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

2-(3,5-difluorophenoxy)-N,4-diethylcyclohexan-1-amine (PubChem CID 63499477) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(3,5-difluorophenoxy)-N,4-diethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,5-difluorophenoxy)-N,4-diethylcyclohexan-1-amine
PubChem CID63499477
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name2-(3,5-difluorophenoxy)-N,4-diethylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1Oc1cc(F)cc(F)c1
InChIInChI=1S/C16H23F2NO/c1-3-11-5-6-15(19-4-2)16(7-11)20-14-9-12(17)8-13(18)10-14/h8-11,15-16,19H,3-7H2,1-2H3
InChIKeyVPUQHSBTSGBACM-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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Related Compounds

2-(3,5-difluorophenoxy)-4-ethyl-N-methylcyclohexan-1-amine
CID 55112524
2-(2,3-difluorophenoxy)-N,4-diethylcyclohexan-1-amine
CID 63036050
2-(2,4-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine
CID 63473606
2-(2,5-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine
CID 63475594
2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine
CID 63500202
2-(3,5-difluorophenoxy)-4-propylcyclohexan-1-amine
CID 62785970
2-cyclobutyloxy-N,4-diethylcyclohexan-1-amine
CID 62141386
2-(4-chloro-3-methylphenoxy)-4-ethyl-N-methylcyclohexan-1-amine
CID 63500371
2-(cyclohexylmethoxy)-N,4-diethylcyclohexan-1-amine
CID 63500914
3-(3,5-difluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943656
4-ethyl-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170256
N-ethyl-3-(3-fluoro-5-methylphenoxy)cyclobutan-1-amine
CID 142365199

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenoxy)-N,4-diethylcyclohexan-1-amine?
The IUPAC name of 2-(3,5-difluorophenoxy)-N,4-diethylcyclohexan-1-amine (CID 63499477) is 2-(3,5-difluorophenoxy)-N,4-diethylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,5-difluorophenoxy)-N,4-diethylcyclohexan-1-amine?
The canonical SMILES for 2-(3,5-difluorophenoxy)-N,4-diethylcyclohexan-1-amine is CCNC1CCC(CC)CC1Oc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenoxy)-N,4-diethylcyclohexan-1-amine?
The InChIKey is VPUQHSBTSGBACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-3-11-5-6-15(19-4-2)16(7-11)20-14-9-12(17)8-13(18)10-14/h8-11,15-16,19H,3-7H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenoxy)-N,4-diethylcyclohexan-1-amine?
2-(3,5-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-(3,5-difluorophenoxy)-N,4-diethylcyclohexan-1-amine is sourced from PubChem (CID 63499477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).