2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline

C16H17N — CID 4141883

IUPAC2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2C(c2ccccc2)C1
InChIInChI=1S/C16H17N/c1-17-11-14-9-5-6-10-15(14)16(12-17)13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3
InChIKeyNNVATDBGKYTMIL-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.26
Rot. Bonds1

About 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline

2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 4141883) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID4141883
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2C(c2ccccc2)C1
InChIInChI=1S/C16H17N/c1-17-11-14-9-5-6-10-15(14)16(12-17)13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3
InChIKeyNNVATDBGKYTMIL-UHFFFAOYSA-N
XLogP3.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline (CID 4141883) is 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline is CN1Cc2ccccc2C(c2ccccc2)C1.
What is the InChIKey of 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is NNVATDBGKYTMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-17-11-14-9-5-6-10-15(14)16(12-17)13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3.
What are the key properties of 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 223.32 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 4141883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).