N-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine

C16H24FNO — CID 79837063

IUPACN-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(Oc2cccc(F)c2)CCCC1(C)C
InChIInChI=1S/C16H24FNO/c1-4-18-15-14(9-6-10-16(15,2)3)19-13-8-5-7-12(17)11-13/h5,7-8,11,14-15,18H,4,6,9-10H2,1-3H3
InChIKeyYODRGJJVYJVWLE-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.76
Rot. Bonds4

About N-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine

N-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine (PubChem CID 79837063) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine
PubChem CID79837063
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(Oc2cccc(F)c2)CCCC1(C)C
InChIInChI=1S/C16H24FNO/c1-4-18-15-14(9-6-10-16(15,2)3)19-13-8-5-7-12(17)11-13/h5,7-8,11,14-15,18H,4,6,9-10H2,1-3H3
InChIKeyYODRGJJVYJVWLE-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
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-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine (CID 79837063) is N-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine is CCNC1C(Oc2cccc(F)c2)CCCC1(C)C.
What is the InChIKey of N-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is YODRGJJVYJVWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-4-18-15-14(9-6-10-16(15,2)3)19-13-8-5-7-12(17)11-13/h5,7-8,11,14-15,18H,4,6,9-10H2,1-3H3.
What are the key properties of N-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine?
N-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79837063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).