4-(5-ethylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride

C17H23ClN2O — CID 162316544

IUPAC4-(5-ethylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride
SMILESCCc1c(OC2CCC(N)CC2)ccc2cnccc12.Cl
InChIInChI=1S/C17H22N2O.ClH/c1-2-15-16-9-10-19-11-12(16)3-8-17(15)20-14-6-4-13(18)5-7-14;/h3,8-11,13-14H,2,4-7,18H2,1H3;1H
InChIKeyZSCRMSHAAFWCAS-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.87
Rot. Bonds3

About 4-(5-ethylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride

4-(5-ethylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride (PubChem CID 162316544) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 4-(5-ethylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(5-ethylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride
PubChem CID162316544
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name4-(5-ethylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride
SMILESCCc1c(OC2CCC(N)CC2)ccc2cnccc12.Cl
InChIInChI=1S/C17H22N2O.ClH/c1-2-15-16-9-10-19-11-12(16)3-8-17(15)20-14-6-4-13(18)5-7-14;/h3,8-11,13-14H,2,4-7,18H2,1H3;1H
InChIKeyZSCRMSHAAFWCAS-UHFFFAOYSA-N
XLogP3.87
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethaverine
CID 3280
Ethaverine Hydrochloride
CID 5702159
3-[(2S)-2-amino-3-(naphthalen-2-yl)propoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10309398
6-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}isoquinoline
CID 10428289
3-(6-Methoxynaphthalen-2-yl)pyridine
CID 11506923
3-(6-Ethoxynaphthalen-2-yl)pyridine
CID 11557864
6-{5-[(2S)-2-amino-2-phenylethoxy]pyridin-3-yl}isoquinoline
CID 23644685
6-{5-[(2S)-2-amino-3-(naphthalen-2-yl)propoxy]pyridin-3-yl}isoquinoline
CID 23646999
6-{5-[(2S)-2-amino-3-cyclohexylpropoxy]pyridin-3-yl}isoquinoline
CID 23647001
3-(6-Methoxynaphthalen-2-yl)pyridin-4-amine
CID 25034431
1-Methyl-2-(3-methyl-3,7,8,9-tetrahydro-pyrano[3,2-e]indol-1-yl)-ethylamine
CID 10131066
(2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10499614

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride?
The IUPAC name of 4-(5-ethylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride (CID 162316544) is 4-(5-ethylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 4-(5-ethylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride?
The canonical SMILES for 4-(5-ethylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride is CCc1c(OC2CCC(N)CC2)ccc2cnccc12.Cl.
What is the InChIKey of 4-(5-ethylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride?
The InChIKey is ZSCRMSHAAFWCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O.ClH/c1-2-15-16-9-10-19-11-12(16)3-8-17(15)20-14-6-4-13(18)5-7-14;/h3,8-11,13-14H,2,4-7,18H2,1H3;1H.
What are the key properties of 4-(5-ethylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride?
4-(5-ethylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 162316544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).