2,7-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline

C17H19N — CID 10130931

IUPAC2,7-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc2c(c1)CN(C)CC2c1ccccc1
InChIInChI=1S/C17H19N/c1-13-8-9-16-15(10-13)11-18(2)12-17(16)14-6-4-3-5-7-14/h3-10,17H,11-12H2,1-2H3
InChIKeyHEKXQZYFIMYCKA-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.57
Rot. Bonds1

About 2,7-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline

2,7-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 10130931) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 2,7-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2,7-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID10130931
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name2,7-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc2c(c1)CN(C)CC2c1ccccc1
InChIInChI=1S/C17H19N/c1-13-8-9-16-15(10-13)11-18(2)12-17(16)14-6-4-3-5-7-14/h3-10,17H,11-12H2,1-2H3
InChIKeyHEKXQZYFIMYCKA-UHFFFAOYSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2,7-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline (CID 10130931) is 2,7-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2,7-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2,7-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline is Cc1ccc2c(c1)CN(C)CC2c1ccccc1.
What is the InChIKey of 2,7-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is HEKXQZYFIMYCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-13-8-9-16-15(10-13)11-18(2)12-17(16)14-6-4-3-5-7-14/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 2,7-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
2,7-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 237.35 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 10130931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).