ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride

C13H18ClNO2 — CID 19386054

IUPACethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc2c(c1)CC(N)CC2.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-2-16-13(15)10-4-3-9-5-6-12(14)8-11(9)7-10;/h3-4,7,12H,2,5-6,8,14H2,1H3;1H
InChIKeyAAGRRIAZDAVHJK-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.10
Rot. Bonds2

About ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride

ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride (PubChem CID 19386054) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
PubChem CID19386054
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Nameethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc2c(c1)CC(N)CC2.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-2-16-13(15)10-4-3-9-5-6-12(14)8-11(9)7-10;/h3-4,7,12H,2,5-6,8,14H2,1H3;1H
InChIKeyAAGRRIAZDAVHJK-UHFFFAOYSA-N
XLogP2.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 19386072
ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride
CID 139635532
ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate
CID 66825919
ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 139635533
ethyl 3-[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride
CID 67782323
ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 19386082
ethyl 2-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]hexanoate;hydrochloride
CID 67822342
ethyl 5-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pentanoate
CID 14848615
ethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate
CID 57146036
methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate
CID 98007137
ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 141309209
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 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride (CID 19386054) is ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride is CCOC(=O)c1ccc2c(c1)CC(N)CC2.Cl.
What is the InChIKey of ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride?
The InChIKey is AAGRRIAZDAVHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.ClH/c1-2-16-13(15)10-4-3-9-5-6-12(14)8-11(9)7-10;/h3-4,7,12H,2,5-6,8,14H2,1H3;1H.
What are the key properties of ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride?
ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride has a molecular weight of 255.74 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride is sourced from PubChem (CID 19386054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).