1-cyclohexyl-2-(2,6-dimethylphenoxy)ethanamine;hydrochloride

C16H26ClNO — CID 162334204

IUPAC1-cyclohexyl-2-(2,6-dimethylphenoxy)ethanamine;hydrochloride
SMILESCc1cccc(C)c1OCC(N)C1CCCCC1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-12-7-6-8-13(2)16(12)18-11-15(17)14-9-4-3-5-10-14;/h6-8,14-15H,3-5,9-11,17H2,1-2H3;1H
InChIKeyZJKIXVLPCSDKIT-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.01
Rot. Bonds4

About 1-cyclohexyl-2-(2,6-dimethylphenoxy)ethanamine;hydrochloride

1-cyclohexyl-2-(2,6-dimethylphenoxy)ethanamine;hydrochloride (PubChem CID 162334204) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2,6-dimethylphenoxy)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-2-(2,6-dimethylphenoxy)ethanamine;hydrochloride
PubChem CID162334204
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-cyclohexyl-2-(2,6-dimethylphenoxy)ethanamine;hydrochloride
SMILESCc1cccc(C)c1OCC(N)C1CCCCC1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-12-7-6-8-13(2)16(12)18-11-15(17)14-9-4-3-5-10-14;/h6-8,14-15H,3-5,9-11,17H2,1-2H3;1H
InChIKeyZJKIXVLPCSDKIT-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2,6-dimethylphenoxy)ethanamine;hydrochloride?
The IUPAC name of 1-cyclohexyl-2-(2,6-dimethylphenoxy)ethanamine;hydrochloride (CID 162334204) is 1-cyclohexyl-2-(2,6-dimethylphenoxy)ethanamine;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-2-(2,6-dimethylphenoxy)ethanamine;hydrochloride?
The canonical SMILES for 1-cyclohexyl-2-(2,6-dimethylphenoxy)ethanamine;hydrochloride is Cc1cccc(C)c1OCC(N)C1CCCCC1.Cl.
What is the InChIKey of 1-cyclohexyl-2-(2,6-dimethylphenoxy)ethanamine;hydrochloride?
The InChIKey is ZJKIXVLPCSDKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.ClH/c1-12-7-6-8-13(2)16(12)18-11-15(17)14-9-4-3-5-10-14;/h6-8,14-15H,3-5,9-11,17H2,1-2H3;1H.
What are the key properties of 1-cyclohexyl-2-(2,6-dimethylphenoxy)ethanamine;hydrochloride?
1-cyclohexyl-2-(2,6-dimethylphenoxy)ethanamine;hydrochloride has a molecular weight of 283.84 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2,6-dimethylphenoxy)ethanamine;hydrochloride is sourced from PubChem (CID 162334204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).