4-methyl-7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

C19H23N — CID 64687796

IUPAC4-methyl-7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CNC(C(C)C)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C19H23N/c1-13(2)19-18-11-16(15-7-5-4-6-8-15)9-10-17(18)14(3)12-20-19/h4-11,13-14,19-20H,12H2,1-3H3
InChIKeyHPVBGIDJKTVRBU-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.76
Rot. Bonds2

About 4-methyl-7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

4-methyl-7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64687796) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-methyl-7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-methyl-7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID64687796
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name4-methyl-7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CNC(C(C)C)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C19H23N/c1-13(2)19-18-11-16(15-7-5-4-6-8-15)9-10-17(18)14(3)12-20-19/h4-11,13-14,19-20H,12H2,1-3H3
InChIKeyHPVBGIDJKTVRBU-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-methyl-7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (CID 64687796) is 4-methyl-7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-methyl-7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-methyl-7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is CC1CNC(C(C)C)c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 4-methyl-7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HPVBGIDJKTVRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-13(2)19-18-11-16(15-7-5-4-6-8-15)9-10-17(18)14(3)12-20-19/h4-11,13-14,19-20H,12H2,1-3H3.
What are the key properties of 4-methyl-7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
4-methyl-7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 265.40 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64687796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).