6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine

C18H29NO — CID 79836744

IUPAC6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(Oc2cc(C)ccc2C)CCCC1(C)C
InChIInChI=1S/C18H29NO/c1-6-19-17-15(8-7-11-18(17,4)5)20-16-12-13(2)9-10-14(16)3/h9-10,12,15,17,19H,6-8,11H2,1-5H3
InChIKeyCBZSWAXQNBHEOT-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.24
Rot. Bonds4

About 6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine

6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine (PubChem CID 79836744) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
PubChem CID79836744
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(Oc2cc(C)ccc2C)CCCC1(C)C
InChIInChI=1S/C18H29NO/c1-6-19-17-15(8-7-11-18(17,4)5)20-16-12-13(2)9-10-14(16)3/h9-10,12,15,17,19H,6-8,11H2,1-5H3
InChIKeyCBZSWAXQNBHEOT-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine (CID 79836744) is 6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine is CCNC1C(Oc2cc(C)ccc2C)CCCC1(C)C.
What is the InChIKey of 6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The InChIKey is CBZSWAXQNBHEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-19-17-15(8-7-11-18(17,4)5)20-16-12-13(2)9-10-14(16)3/h9-10,12,15,17,19H,6-8,11H2,1-5H3.
What are the key properties of 6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79836744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).