1-(4-ethoxycyclohexyl)ethanamine;hydrochloride

C10H22ClNO — CID 154842558

IUPAC1-(4-ethoxycyclohexyl)ethanamine;hydrochloride
SMILESCCOC1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C10H21NO.ClH/c1-3-12-10-6-4-9(5-7-10)8(2)11;/h8-10H,3-7,11H2,1-2H3;1H
InChIKeyOWWFDVBXXGIMFK-UHFFFAOYSA-N
MW207.74 g/mol
LogP2.35
Rot. Bonds3

About 1-(4-ethoxycyclohexyl)ethanamine;hydrochloride

1-(4-ethoxycyclohexyl)ethanamine;hydrochloride (PubChem CID 154842558) has the molecular formula C10H22ClNO and a molecular weight of 207.74 g/mol. Its IUPAC name is 1-(4-ethoxycyclohexyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-ethoxycyclohexyl)ethanamine;hydrochloride
PubChem CID154842558
Molecular FormulaC10H22ClNO
Molecular Weight207.74 g/mol
Exact Mass207.14
IUPAC Name1-(4-ethoxycyclohexyl)ethanamine;hydrochloride
SMILESCCOC1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C10H21NO.ClH/c1-3-12-10-6-4-9(5-7-10)8(2)11;/h8-10H,3-7,11H2,1-2H3;1H
InChIKeyOWWFDVBXXGIMFK-UHFFFAOYSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.74
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxycyclohexyl)ethanamine;hydrochloride?
The IUPAC name of 1-(4-ethoxycyclohexyl)ethanamine;hydrochloride (CID 154842558) is 1-(4-ethoxycyclohexyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(4-ethoxycyclohexyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(4-ethoxycyclohexyl)ethanamine;hydrochloride is CCOC1CCC(C(C)N)CC1.Cl.
What is the InChIKey of 1-(4-ethoxycyclohexyl)ethanamine;hydrochloride?
The InChIKey is OWWFDVBXXGIMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.ClH/c1-3-12-10-6-4-9(5-7-10)8(2)11;/h8-10H,3-7,11H2,1-2H3;1H.
What are the key properties of 1-(4-ethoxycyclohexyl)ethanamine;hydrochloride?
1-(4-ethoxycyclohexyl)ethanamine;hydrochloride has a molecular weight of 207.74 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxycyclohexyl)ethanamine;hydrochloride is sourced from PubChem (CID 154842558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).