methyl 7-(3-aminophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;hydrochloride

C18H20ClNO2 — CID 66660910

IUPACmethyl 7-(3-aminophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CCc2ccc(-c3cccc(N)c3)cc2C1.Cl
InChIInChI=1S/C18H19NO2.ClH/c1-21-18(20)15-8-6-12-5-7-14(9-16(12)10-15)13-3-2-4-17(19)11-13;/h2-5,7,9,11,15H,6,8,10,19H2,1H3;1H
InChIKeyPQNGBRWXWPFYTF-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.64
Rot. Bonds2

About methyl 7-(3-aminophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;hydrochloride

methyl 7-(3-aminophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;hydrochloride (PubChem CID 66660910) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is methyl 7-(3-aminophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 7-(3-aminophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;hydrochloride
PubChem CID66660910
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Namemethyl 7-(3-aminophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CCc2ccc(-c3cccc(N)c3)cc2C1.Cl
InChIInChI=1S/C18H19NO2.ClH/c1-21-18(20)15-8-6-12-5-7-14(9-16(12)10-15)13-3-2-4-17(19)11-13;/h2-5,7,9,11,15H,6,8,10,19H2,1H3;1H
InChIKeyPQNGBRWXWPFYTF-UHFFFAOYSA-N
XLogP3.64
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(3-aminophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;hydrochloride?
The IUPAC name of methyl 7-(3-aminophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;hydrochloride (CID 66660910) is methyl 7-(3-aminophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 7-(3-aminophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 7-(3-aminophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;hydrochloride is COC(=O)C1CCc2ccc(-c3cccc(N)c3)cc2C1.Cl.
What is the InChIKey of methyl 7-(3-aminophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;hydrochloride?
The InChIKey is PQNGBRWXWPFYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2.ClH/c1-21-18(20)15-8-6-12-5-7-14(9-16(12)10-15)13-3-2-4-17(19)11-13;/h2-5,7,9,11,15H,6,8,10,19H2,1H3;1H.
What are the key properties of methyl 7-(3-aminophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;hydrochloride?
methyl 7-(3-aminophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;hydrochloride has a molecular weight of 317.82 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(3-aminophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;hydrochloride is sourced from PubChem (CID 66660910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).