(1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline

C16H17N — CID 42054854

IUPAC(1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc2c(c1)CCN[C@H]2c1ccccc1
InChIInChI=1S/C16H17N/c1-12-7-8-15-14(11-12)9-10-17-16(15)13-5-3-2-4-6-13/h2-8,11,16-17H,9-10H2,1H3/t16-/m0/s1
InChIKeyQRDBGYAEGVDVSF-INIZCTEOSA-N
MW223.32 g/mol
LogP3.23
Rot. Bonds1

About (1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline

(1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 42054854) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is (1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID42054854
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name(1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc2c(c1)CCN[C@H]2c1ccccc1
InChIInChI=1S/C16H17N/c1-12-7-8-15-14(11-12)9-10-17-16(15)13-5-3-2-4-6-13/h2-8,11,16-17H,9-10H2,1H3/t16-/m0/s1
InChIKeyQRDBGYAEGVDVSF-INIZCTEOSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 52983529
(1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 96956787
ethane;1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 145379970
6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 142814527
1-tert-butyl-6-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 45158331
6-(3-methylphenyl)-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline
CID 3615121
6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride
CID 53408438
(6S)-6-phenyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline
CID 42056106
(1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 672733
(1R)-6-chloro-7-methoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 14198574
(1S,2S)-1,6-dimethyl-2-phenyl-1,2,3,4-tetrahydronaphthalene
CID 170728886
(1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 7010656

Frequently Asked Questions

What is the IUPAC name of (1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline (CID 42054854) is (1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline is Cc1ccc2c(c1)CCN[C@H]2c1ccccc1.
What is the InChIKey of (1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QRDBGYAEGVDVSF-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17N/c1-12-7-8-15-14(11-12)9-10-17-16(15)13-5-3-2-4-6-13/h2-8,11,16-17H,9-10H2,1H3/t16-/m0/s1.
What are the key properties of (1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
(1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 223.32 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 42054854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).