methyl 6-(methylaminomethyl)-5-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride

C20H24ClNO2 — CID 18477138

IUPACmethyl 6-(methylaminomethyl)-5-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
SMILESCNCC1CCc2cc(C(=O)OC)ccc2C1c1ccccc1.Cl
InChIInChI=1S/C20H23NO2.ClH/c1-21-13-17-9-8-15-12-16(20(22)23-2)10-11-18(15)19(17)14-6-4-3-5-7-14;/h3-7,10-12,17,19,21H,8-9,13H2,1-2H3;1H
InChIKeyXTFQRGHNQCANLR-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.81
Rot. Bonds4

About methyl 6-(methylaminomethyl)-5-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride

methyl 6-(methylaminomethyl)-5-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride (PubChem CID 18477138) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is methyl 6-(methylaminomethyl)-5-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 6-(methylaminomethyl)-5-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
PubChem CID18477138
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Namemethyl 6-(methylaminomethyl)-5-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
SMILESCNCC1CCc2cc(C(=O)OC)ccc2C1c1ccccc1.Cl
InChIInChI=1S/C20H23NO2.ClH/c1-21-13-17-9-8-15-12-16(20(22)23-2)10-11-18(15)19(17)14-6-4-3-5-7-14;/h3-7,10-12,17,19,21H,8-9,13H2,1-2H3;1H
InChIKeyXTFQRGHNQCANLR-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 6-(methylaminomethyl)-5-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-formyl-2,3-dihydro-1H-indene-5-carboxylate
CID 86071683
2-[[6-(2,2-dimethylpropoxy)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methylamino]acetic acid
CID 70166397
(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-1-yl)azanium
CID 163859823
methyl (1R,4S)-4-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylate
CID 170646846
methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 59505320
methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 155905494
methyl 3-[[2-(2-methylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 67547074
6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 71383857
methyl 6-(3,5-dimethylcyclohexyl)oxy-5-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 159287478
methyl 3-cyclohexylbenzoate
CID 67160762
2-[(1S)-5-[4-methoxycarbonyl-2-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24985210
(5-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 115058016

Frequently Asked Questions

What is the IUPAC name of methyl 6-(methylaminomethyl)-5-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride?
The IUPAC name of methyl 6-(methylaminomethyl)-5-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride (CID 18477138) is methyl 6-(methylaminomethyl)-5-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 6-(methylaminomethyl)-5-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 6-(methylaminomethyl)-5-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride is CNCC1CCc2cc(C(=O)OC)ccc2C1c1ccccc1.Cl.
What is the InChIKey of methyl 6-(methylaminomethyl)-5-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride?
The InChIKey is XTFQRGHNQCANLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2.ClH/c1-21-13-17-9-8-15-12-16(20(22)23-2)10-11-18(15)19(17)14-6-4-3-5-7-14;/h3-7,10-12,17,19,21H,8-9,13H2,1-2H3;1H.
What are the key properties of methyl 6-(methylaminomethyl)-5-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride?
methyl 6-(methylaminomethyl)-5-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride has a molecular weight of 345.87 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(methylaminomethyl)-5-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride is sourced from PubChem (CID 18477138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).