(3R)-7-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline

C16H17N — CID 101369322

IUPAC(3R)-7-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc2c(c1)CN[C@@H](c1ccccc1)C2
InChIInChI=1S/C16H17N/c1-12-7-8-14-10-16(17-11-15(14)9-12)13-5-3-2-4-6-13/h2-9,16-17H,10-11H2,1H3/t16-/m1/s1
InChIKeyALNMYWGQMAVFEP-MRXNPFEDSA-N
MW223.32 g/mol
LogP3.38
Rot. Bonds1

About (3R)-7-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline

(3R)-7-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 101369322) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is (3R)-7-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(3R)-7-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID101369322
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name(3R)-7-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc2c(c1)CN[C@@H](c1ccccc1)C2
InChIInChI=1S/C16H17N/c1-12-7-8-14-10-16(17-11-15(14)9-12)13-5-3-2-4-6-13/h2-9,16-17H,10-11H2,1H3/t16-/m1/s1
InChIKeyALNMYWGQMAVFEP-MRXNPFEDSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 826427
(7-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol;hydrochloride
CID 91928406
ethane;(2S)-2-phenylaziridine
CID 145185749
3-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 123699781
5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-benzothiazole
CID 43305030
methyl (3R)-7-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 67096009
(1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 42054854
6-methyl-1,2,3,4-tetrahydrophthalazine
CID 142250671
1,5-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3(8),4,6,11,13,15-hexaene
CID 23051143
5-methyl-1-(2-methylphenyl)-2,3-dihydro-1H-isoindole
CID 84735501
3-(fluoromethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 84718259
3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
CID 14956433

Frequently Asked Questions

What is the IUPAC name of (3R)-7-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (3R)-7-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline (CID 101369322) is (3R)-7-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (3R)-7-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (3R)-7-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline is Cc1ccc2c(c1)CN[C@@H](c1ccccc1)C2.
What is the InChIKey of (3R)-7-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ALNMYWGQMAVFEP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17N/c1-12-7-8-14-10-16(17-11-15(14)9-12)13-5-3-2-4-6-13/h2-9,16-17H,10-11H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-7-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline?
(3R)-7-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 223.32 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 101369322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).