ethyl 2-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]hexanoate;hydrochloride

C18H28ClNO3 — CID 67822342

IUPACethyl 2-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]hexanoate;hydrochloride
SMILESCCCCC(Oc1ccc2c(c1)CC(N)CC2)C(=O)OCC.Cl
InChIInChI=1S/C18H27NO3.ClH/c1-3-5-6-17(18(20)21-4-2)22-16-10-8-13-7-9-15(19)11-14(13)12-16;/h8,10,12,15,17H,3-7,9,11,19H2,1-2H3;1H
InChIKeyKDRJIVLRCAYBAF-UHFFFAOYSA-N
MW341.88 g/mol
LogP3.43
Rot. Bonds7

About ethyl 2-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]hexanoate;hydrochloride

ethyl 2-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]hexanoate;hydrochloride (PubChem CID 67822342) has the molecular formula C18H28ClNO3 and a molecular weight of 341.88 g/mol. Its IUPAC name is ethyl 2-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]hexanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]hexanoate;hydrochloride
PubChem CID67822342
Molecular FormulaC18H28ClNO3
Molecular Weight341.88 g/mol
Exact Mass341.18
IUPAC Nameethyl 2-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]hexanoate;hydrochloride
SMILESCCCCC(Oc1ccc2c(c1)CC(N)CC2)C(=O)OCC.Cl
InChIInChI=1S/C18H27NO3.ClH/c1-3-5-6-17(18(20)21-4-2)22-16-10-8-13-7-9-15(19)11-14(13)12-16;/h8,10,12,15,17H,3-7,9,11,19H2,1-2H3;1H
InChIKeyKDRJIVLRCAYBAF-UHFFFAOYSA-N
XLogP3.43
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]hexanoate;hydrochloride?
The IUPAC name of ethyl 2-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]hexanoate;hydrochloride (CID 67822342) is ethyl 2-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]hexanoate;hydrochloride.
What is the SMILES notation for ethyl 2-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]hexanoate;hydrochloride?
The canonical SMILES for ethyl 2-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]hexanoate;hydrochloride is CCCCC(Oc1ccc2c(c1)CC(N)CC2)C(=O)OCC.Cl.
What is the InChIKey of ethyl 2-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]hexanoate;hydrochloride?
The InChIKey is KDRJIVLRCAYBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3.ClH/c1-3-5-6-17(18(20)21-4-2)22-16-10-8-13-7-9-15(19)11-14(13)12-16;/h8,10,12,15,17H,3-7,9,11,19H2,1-2H3;1H.
What are the key properties of ethyl 2-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]hexanoate;hydrochloride?
ethyl 2-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]hexanoate;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]hexanoate;hydrochloride is sourced from PubChem (CID 67822342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).