1-(6-methoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride

C16H18ClNO — CID 68950658

IUPAC1-(6-methoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCOc1ccc2cc(C34CNCC3C4)ccc2c1.Cl
InChIInChI=1S/C16H17NO.ClH/c1-18-15-5-3-11-6-13(4-2-12(11)7-15)16-8-14(16)9-17-10-16;/h2-7,14,17H,8-10H2,1H3;1H
InChIKeyVLKZPBIIKBIPCD-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.13
Rot. Bonds2

About 1-(6-methoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride

1-(6-methoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride (PubChem CID 68950658) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride
PubChem CID68950658
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(6-methoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCOc1ccc2cc(C34CNCC3C4)ccc2c1.Cl
InChIInChI=1S/C16H17NO.ClH/c1-18-15-5-3-11-6-13(4-2-12(11)7-15)16-8-14(16)9-17-10-16;/h2-7,14,17H,8-10H2,1H3;1H
InChIKeyVLKZPBIIKBIPCD-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride (CID 68950658) is 1-(6-methoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride is COc1ccc2cc(C34CNCC3C4)ccc2c1.Cl.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The InChIKey is VLKZPBIIKBIPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.ClH/c1-18-15-5-3-11-6-13(4-2-12(11)7-15)16-8-14(16)9-17-10-16;/h2-7,14,17H,8-10H2,1H3;1H.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
1-(6-methoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride is sourced from PubChem (CID 68950658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).