(1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline

C16H17NO — CID 7010656

IUPAC(1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cccc([C@@H]2NCCc3ccccc32)c1
InChIInChI=1S/C16H17NO/c1-18-14-7-4-6-13(11-14)16-15-8-3-2-5-12(15)9-10-17-16/h2-8,11,16-17H,9-10H2,1H3/t16-/m0/s1
InChIKeyNGPJOPHIUICRDB-INIZCTEOSA-N
MW239.32 g/mol
LogP2.93
Rot. Bonds2

About (1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline

(1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 7010656) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID7010656
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cccc([C@@H]2NCCc3ccccc32)c1
InChIInChI=1S/C16H17NO/c1-18-14-7-4-6-13(11-14)16-15-8-3-2-5-12(15)9-10-17-16/h2-8,11,16-17H,9-10H2,1H3/t16-/m0/s1
InChIKeyNGPJOPHIUICRDB-INIZCTEOSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 42054648
1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 5023309
6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 4019885
(1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10587055
2-(3-methoxyphenyl)piperidin-3-one;hydrochloride
CID 115044474
6-fluoro-1-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole
CID 84737148
1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106543799
1-(3-tert-butyl-4-methoxyphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3365877
(1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 42054854
6-methoxy-1-(2,3,4-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 106543754
4-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydro-1H-isoquinoline
CID 12640128
1-(3-butoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 3640554

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline (CID 7010656) is (1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline is COc1cccc([C@@H]2NCCc3ccccc32)c1.
What is the InChIKey of (1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NGPJOPHIUICRDB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17NO/c1-18-14-7-4-6-13(11-14)16-15-8-3-2-5-12(15)9-10-17-16/h2-8,11,16-17H,9-10H2,1H3/t16-/m0/s1.
What are the key properties of (1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline?
(1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 239.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 7010656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).