3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline chloride

C18H19ClN- — CID 53352547

IUPAC3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline chloride
SMILESCC1Cc2ccccc2C(CCc2ccccc2)=N1.[Cl-]
InChIInChI=1S/C18H19N.ClH/c1-14-13-16-9-5-6-10-17(16)18(19-14)12-11-15-7-3-2-4-8-15;/h2-10,14H,11-13H2,1H3;1H/p-1
InChIKeyLAORPZBQNFMXCZ-UHFFFAOYSA-M
MW284.81 g/mol
LogP1.06
Rot. Bonds3

About 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline chloride

3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline chloride (PubChem CID 53352547) has the molecular formula C18H19ClN- and a molecular weight of 284.81 g/mol. Its IUPAC name is 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline chloride.

Molecular Properties

Compound Name3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline chloride
PubChem CID53352547
Molecular FormulaC18H19ClN-
Molecular Weight284.81 g/mol
Exact Mass284.12
IUPAC Name3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline chloride
SMILESCC1Cc2ccccc2C(CCc2ccccc2)=N1.[Cl-]
InChIInChI=1S/C18H19N.ClH/c1-14-13-16-9-5-6-10-17(16)18(19-14)12-11-15-7-3-2-4-8-15;/h2-10,14H,11-13H2,1H3;1H/p-1
InChIKeyLAORPZBQNFMXCZ-UHFFFAOYSA-M
XLogP1.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline chloride?
The IUPAC name of 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline chloride (CID 53352547) is 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline chloride.
What is the SMILES notation for 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline chloride?
The canonical SMILES for 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline chloride is CC1Cc2ccccc2C(CCc2ccccc2)=N1.[Cl-].
What is the InChIKey of 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline chloride?
The InChIKey is LAORPZBQNFMXCZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H19N.ClH/c1-14-13-16-9-5-6-10-17(16)18(19-14)12-11-15-7-3-2-4-8-15;/h2-10,14H,11-13H2,1H3;1H/p-1.
What are the key properties of 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline chloride?
3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline chloride has a molecular weight of 284.81 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline chloride is sourced from PubChem (CID 53352547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).