8-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C16H18ClNO — CID 3057767

IUPAC8-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCOc1cccc(-c2cccc3c2CNCC3)c1.Cl
InChIInChI=1S/C16H17NO.ClH/c1-18-14-6-2-5-13(10-14)15-7-3-4-12-8-9-17-11-16(12)15;/h2-7,10,17H,8-9,11H2,1H3;1H
InChIKeyRTMILDSFFQOCKB-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.43
Rot. Bonds2

About 8-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride

8-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 3057767) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 8-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name8-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID3057767
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name8-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCOc1cccc(-c2cccc3c2CNCC3)c1.Cl
InChIInChI=1S/C16H17NO.ClH/c1-18-14-6-2-5-13(10-14)15-7-3-4-12-8-9-17-11-16(12)15;/h2-7,10,17H,8-9,11H2,1H3;1H
InChIKeyRTMILDSFFQOCKB-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 8-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 3057767) is 8-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 8-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 8-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride is COc1cccc(-c2cccc3c2CNCC3)c1.Cl.
What is the InChIKey of 8-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is RTMILDSFFQOCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.ClH/c1-18-14-6-2-5-13(10-14)15-7-3-4-12-8-9-17-11-16(12)15;/h2-7,10,17H,8-9,11H2,1H3;1H.
What are the key properties of 8-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
8-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 3057767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).