propan-2-yl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;hydrochloride

C13H18ClNO2 — CID 133062529

IUPACpropan-2-yl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;hydrochloride
SMILESCC(C)OC(=O)c1ccc2c(c1)CCNC2.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-9(2)16-13(15)11-3-4-12-8-14-6-5-10(12)7-11;/h3-4,7,9,14H,5-6,8H2,1-2H3;1H
InChIKeyWOFJPVMJOLGHEF-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.32
Rot. Bonds2

About propan-2-yl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;hydrochloride

propan-2-yl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;hydrochloride (PubChem CID 133062529) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is propan-2-yl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;hydrochloride
PubChem CID133062529
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Namepropan-2-yl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;hydrochloride
SMILESCC(C)OC(=O)c1ccc2c(c1)CCNC2.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-9(2)16-13(15)11-3-4-12-8-14-6-5-10(12)7-11;/h3-4,7,9,14H,5-6,8H2,1-2H3;1H
InChIKeyWOFJPVMJOLGHEF-UHFFFAOYSA-N
XLogP2.32
TPSA38.33 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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate
CID 60704491
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 10656920
1-methoxypropan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate
CID 113363691
2-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanoic acid
CID 135337281
dipropan-2-yl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate
CID 139896320
carbamoyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 91560040
3-methyl-2-(1,2,3,4-tetrahydroisoquinoline-6-carbonylamino)butanoic acid
CID 110489057
2-propan-2-yloxyethyl 2,3-dihydro-1H-isoindole-5-carboxylate
CID 103999601
1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride
CID 121334078
octan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate
CID 103999609
2-[1-(1,2,3,4-tetrahydroisoquinoline-7-carbonyl)azetidin-3-yl]propanoic acid
CID 116682378
propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate
CID 133062973

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;hydrochloride?
The IUPAC name of propan-2-yl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;hydrochloride (CID 133062529) is propan-2-yl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;hydrochloride.
What is the SMILES notation for propan-2-yl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;hydrochloride?
The canonical SMILES for propan-2-yl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;hydrochloride is CC(C)OC(=O)c1ccc2c(c1)CCNC2.Cl.
What is the InChIKey of propan-2-yl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;hydrochloride?
The InChIKey is WOFJPVMJOLGHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.ClH/c1-9(2)16-13(15)11-3-4-12-8-14-6-5-10(12)7-11;/h3-4,7,9,14H,5-6,8H2,1-2H3;1H.
What are the key properties of propan-2-yl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;hydrochloride?
propan-2-yl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;hydrochloride has a molecular weight of 255.74 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;hydrochloride is sourced from PubChem (CID 133062529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).