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

C14H19NO2 — CID 139635533

IUPACethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
SMILESCCOC(=O)Cc1ccc2c(c1)CC(N)CC2
InChIInChI=1S/C14H19NO2/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
InChIKeyROLHBNSFUOJEAJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.61
Rot. Bonds3

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

ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate (PubChem CID 139635533) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
PubChem CID139635533
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
SMILESCCOC(=O)Cc1ccc2c(c1)CC(N)CC2
InChIInChI=1S/C14H19NO2/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
InChIKeyROLHBNSFUOJEAJ-UHFFFAOYSA-N
XLogP1.61
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.61
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;hydrochloride
CID 139635532
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
(2R)-7-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130940477
ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 19386054
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 3-[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride
CID 67782323
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-(3,4-dihydro-2H-chromen-7-yl)acetate
CID 105475566

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The IUPAC name of ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate (CID 139635533) is ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate.
What is the SMILES notation for ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The canonical SMILES for ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate is CCOC(=O)Cc1ccc2c(c1)CC(N)CC2.
What is the InChIKey of ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The InChIKey is ROLHBNSFUOJEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/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.
What are the key properties of ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate has a molecular weight of 233.31 g/mol, XLogP of 1.61, 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 is sourced from PubChem (CID 139635533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).