methyl 4-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate;hydrochloride

C12H16ClNO2 — CID 136574843

IUPACmethyl 4-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate;hydrochloride
SMILESCOC(=O)C1CCC(N)c2ccccc21.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-15-12(14)10-6-7-11(13)9-5-3-2-4-8(9)10;/h2-5,10-11H,6-7,13H2,1H3;1H
InChIKeyBICPCQVTZUEREC-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.16
Rot. Bonds1

About methyl 4-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate;hydrochloride

methyl 4-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate;hydrochloride (PubChem CID 136574843) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is methyl 4-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate;hydrochloride
PubChem CID136574843
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Namemethyl 4-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate;hydrochloride
SMILESCOC(=O)C1CCC(N)c2ccccc21.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-15-12(14)10-6-7-11(13)9-5-3-2-4-8(9)10;/h2-5,10-11H,6-7,13H2,1H3;1H
InChIKeyBICPCQVTZUEREC-UHFFFAOYSA-N
XLogP2.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate;hydrochloride?
The IUPAC name of methyl 4-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate;hydrochloride (CID 136574843) is methyl 4-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate;hydrochloride is COC(=O)C1CCC(N)c2ccccc21.Cl.
What is the InChIKey of methyl 4-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate;hydrochloride?
The InChIKey is BICPCQVTZUEREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c1-15-12(14)10-6-7-11(13)9-5-3-2-4-8(9)10;/h2-5,10-11H,6-7,13H2,1H3;1H.
What are the key properties of methyl 4-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate;hydrochloride?
methyl 4-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate;hydrochloride is sourced from PubChem (CID 136574843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).