1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride

C17H20ClNO — CID 140721327

IUPAC1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCCOc1c(C23CNCC2C3)ccc2ccccc12.Cl
InChIInChI=1S/C17H19NO.ClH/c1-2-19-16-14-6-4-3-5-12(14)7-8-15(16)17-9-13(17)10-18-11-17;/h3-8,13,18H,2,9-11H2,1H3;1H
InChIKeyXGSQRBLGINDMKK-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.52
Rot. Bonds3

About 1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride

1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride (PubChem CID 140721327) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride.

Molecular Properties

Compound Name1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride
PubChem CID140721327
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCCOc1c(C23CNCC2C3)ccc2ccccc12.Cl
InChIInChI=1S/C17H19NO.ClH/c1-2-19-16-14-6-4-3-5-12(14)7-8-15(16)17-9-13(17)10-18-11-17;/h3-8,13,18H,2,9-11H2,1H3;1H
InChIKeyXGSQRBLGINDMKK-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane
CID 140721328
2-(3-azabicyclo[3.1.0]hexan-1-yl)naphthalene-1-carbaldehyde
CID 135285014
5-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]quinoline
CID 129390404
ethane;(1R,5S)-1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90850243
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90822722
1-(6-methoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 68950658
1-(2-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexane
CID 66671185
1-(4-benzylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 86062450
(5R)-1-(1-benzothiophen-2-yl)-3-azabicyclo[3.1.0]hexane
CID 126704810
1-ethoxy-2-methoxynaphthalene
CID 45093938
ethoxyethane;phenanthrene
CID 174652079
(5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane
CID 90840976

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The IUPAC name of 1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride (CID 140721327) is 1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride.
What is the SMILES notation for 1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The canonical SMILES for 1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride is CCOc1c(C23CNCC2C3)ccc2ccccc12.Cl.
What is the InChIKey of 1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The InChIKey is XGSQRBLGINDMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.ClH/c1-2-19-16-14-6-4-3-5-12(14)7-8-15(16)17-9-13(17)10-18-11-17;/h3-8,13,18H,2,9-11H2,1H3;1H.
What are the key properties of 1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride is sourced from PubChem (CID 140721327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).