(3S,4R)-3-methyl-4-phenyl-1,2,3,4-tetrahydroquinoline

C16H17N — CID 102145962

IUPAC(3S,4R)-3-methyl-4-phenyl-1,2,3,4-tetrahydroquinoline
SMILESC[C@@H]1CNc2ccccc2[C@H]1c1ccccc1
InChIInChI=1S/C16H17N/c1-12-11-17-15-10-6-5-9-14(15)16(12)13-7-3-2-4-8-13/h2-10,12,16-17H,11H2,1H3/t12-,16-/m1/s1
InChIKeyAVQZFNNZQPJUQM-MLGOLLRUSA-N
MW223.32 g/mol
LogP3.88
Rot. Bonds1

About (3S,4R)-3-methyl-4-phenyl-1,2,3,4-tetrahydroquinoline

(3S,4R)-3-methyl-4-phenyl-1,2,3,4-tetrahydroquinoline (PubChem CID 102145962) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is (3S,4R)-3-methyl-4-phenyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(3S,4R)-3-methyl-4-phenyl-1,2,3,4-tetrahydroquinoline
PubChem CID102145962
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name(3S,4R)-3-methyl-4-phenyl-1,2,3,4-tetrahydroquinoline
SMILESC[C@@H]1CNc2ccccc2[C@H]1c1ccccc1
InChIInChI=1S/C16H17N/c1-12-11-17-15-10-6-5-9-14(15)16(12)13-7-3-2-4-8-13/h2-10,12,16-17H,11H2,1H3/t12-,16-/m1/s1
InChIKeyAVQZFNNZQPJUQM-MLGOLLRUSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(3R,4S)-6-methoxy-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol
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CID 115104033
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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methyl-4-phenyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (3S,4R)-3-methyl-4-phenyl-1,2,3,4-tetrahydroquinoline (CID 102145962) is (3S,4R)-3-methyl-4-phenyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (3S,4R)-3-methyl-4-phenyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (3S,4R)-3-methyl-4-phenyl-1,2,3,4-tetrahydroquinoline is C[C@@H]1CNc2ccccc2[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-3-methyl-4-phenyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is AVQZFNNZQPJUQM-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H17N/c1-12-11-17-15-10-6-5-9-14(15)16(12)13-7-3-2-4-8-13/h2-10,12,16-17H,11H2,1H3/t12-,16-/m1/s1.
What are the key properties of (3S,4R)-3-methyl-4-phenyl-1,2,3,4-tetrahydroquinoline?
(3S,4R)-3-methyl-4-phenyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 223.32 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methyl-4-phenyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 102145962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).