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

C15H15N — CID 1382087

IUPAC(1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc([C@@H]2NCCc3ccccc32)cc1
InChIInChI=1S/C15H15N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9,15-16H,10-11H2/t15-/m0/s1
InChIKeyPRTRSEDVLBBFJZ-HNNXBMFYSA-N
MW209.29 g/mol
LogP2.92
Rot. Bonds1

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

(1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 1382087) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID1382087
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name(1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc([C@@H]2NCCc3ccccc32)cc1
InChIInChI=1S/C15H15N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9,15-16H,10-11H2/t15-/m0/s1
InChIKeyPRTRSEDVLBBFJZ-HNNXBMFYSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dizocilpine
CID 180081
Fendiline
CID 3336
1,2,3,4-Tetrahydroisoquinoline
CID 7046
1-Benzyl-1,2,3,4-Tetrahydroisoquinoline
CID 98468
N-Benzylphenethylamine
CID 65055
Fendiline Hydrochloride
CID 5702162
N-ethyl-1-phenylcyclohexanamine
CID 16622
Benzhydrylpiperazine
CID 70048
2-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 15362
1-(1-Naphthylmethyl)piperazine
CID 701891
3-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 568974
1-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 92214

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline (CID 1382087) is (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline is c1ccc([C@@H]2NCCc3ccccc32)cc1.
What is the InChIKey of (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is PRTRSEDVLBBFJZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9,15-16H,10-11H2/t15-/m0/s1.
What are the key properties of (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
(1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 209.29 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 1382087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).