ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride

C14H20ClNO2 — CID 139635532

IUPACethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride
SMILESCCOC(=O)Cc1ccc2c(c1)CC(N)CC2.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-2-17-14(16)8-10-3-4-11-5-6-13(15)9-12(11)7-10;/h3-4,7,13H,2,5-6,8-9,15H2,1H3;1H
InChIKeyJSSBCUFDHVQZMW-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.03
Rot. Bonds3

About ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride

ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride (PubChem CID 139635532) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride
PubChem CID139635532
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Nameethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride
SMILESCCOC(=O)Cc1ccc2c(c1)CC(N)CC2.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-2-17-14(16)8-10-3-4-11-5-6-13(15)9-12(11)7-10;/h3-4,7,13H,2,5-6,8-9,15H2,1H3;1H
InChIKeyJSSBCUFDHVQZMW-UHFFFAOYSA-N
XLogP2.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 139635533
methyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 54070173
ethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate
CID 57146036
ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 19386054
(2R)-7-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130940477
ethyl 3-[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride
CID 67782323
ethyl 5-[[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pentanoate
CID 54113482
ethyl 5-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pentanoate
CID 14848615
methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate
CID 14071505
ethyl 2-[6-(2-amino-2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate
CID 175492620
ethyl 2-[8-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]acetate
CID 139761458
ethyl 2-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)acetate;hydrochloride
CID 70049815

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride?
The IUPAC name of ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride (CID 139635532) is ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride?
The canonical SMILES for ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride is CCOC(=O)Cc1ccc2c(c1)CC(N)CC2.Cl.
What is the InChIKey of ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride?
The InChIKey is JSSBCUFDHVQZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-2-17-14(16)8-10-3-4-11-5-6-13(15)9-12(11)7-10;/h3-4,7,13H,2,5-6,8-9,15H2,1H3;1H.
What are the key properties of ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride?
ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride is sourced from PubChem (CID 139635532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).