methyl 5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride

C12H16ClNO2 — CID 154878753

IUPACmethyl 5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride
SMILESCOC(=O)c1cccc2c1CCCC2N.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-15-12(14)10-6-2-5-9-8(10)4-3-7-11(9)13;/h2,5-6,11H,3-4,7,13H2,1H3;1H
InChIKeyJLLKDWYFLUAIFI-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.23
Rot. Bonds1

About methyl 5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride

methyl 5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride (PubChem CID 154878753) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is methyl 5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride
PubChem CID154878753
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Namemethyl 5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride
SMILESCOC(=O)c1cccc2c1CCCC2N.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-15-12(14)10-6-2-5-9-8(10)4-3-7-11(9)13;/h2,5-6,11H,3-4,7,13H2,1H3;1H
InChIKeyJLLKDWYFLUAIFI-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate
CID 59505387
5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 130044186
methyl (4R)-4-amino-3,4-dihydro-1H-isochromene-8-carboxylate
CID 131534145
methyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate
CID 124673429
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932
(1R)-1-amino-2,3-dihydro-1H-indene-4-carboxamide
CID 130682508
methyl 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpropanoate
CID 79629209
methyl 2-methoxy-2,3,4,5-tetrahydro-1-benzoxepine-6-carboxylate
CID 143813730
2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(cyanomethyl)acetamide
CID 65455158
5-O-methyl 4-O-propan-2-yl 1-amino-2,3-dihydro-1H-indene-4,5-dicarboxylate
CID 150000037
5-hydrazinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55280830
(1-amino-2,3-dihydro-1H-inden-4-yl)-(4-methylphenyl)methanone
CID 67613124

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride?
The IUPAC name of methyl 5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride (CID 154878753) is methyl 5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride is COC(=O)c1cccc2c1CCCC2N.Cl.
What is the InChIKey of methyl 5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride?
The InChIKey is JLLKDWYFLUAIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c1-15-12(14)10-6-2-5-9-8(10)4-3-7-11(9)13;/h2,5-6,11H,3-4,7,13H2,1H3;1H.
What are the key properties of methyl 5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride?
methyl 5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride is sourced from PubChem (CID 154878753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).