3-benzyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

C18H21N — CID 64687004

IUPAC3-benzyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc2c(c1)CNC(Cc1ccccc1)C2C
InChIInChI=1S/C18H21N/c1-13-8-9-17-14(2)18(19-12-16(17)10-13)11-15-6-4-3-5-7-15/h3-10,14,18-19H,11-12H2,1-2H3
InChIKeyFFLOSHOTVDNQLN-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.81
Rot. Bonds2

About 3-benzyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

3-benzyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64687004) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-benzyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-benzyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID64687004
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name3-benzyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc2c(c1)CNC(Cc1ccccc1)C2C
InChIInChI=1S/C18H21N/c1-13-8-9-17-14(2)18(19-12-16(17)10-13)11-15-6-4-3-5-7-15/h3-10,14,18-19H,11-12H2,1-2H3
InChIKeyFFLOSHOTVDNQLN-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-benzyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzyl-5-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
CID 64687411
5-methyl-1-(2-methylphenyl)-2,3-dihydro-1H-isoindole
CID 84735501
3-benzyl-6-methyl-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinoline
CID 115420221
1-(2-chlorophenyl)-5-methyl-2,3-dihydro-1H-isoindole
CID 84737209
4-methyl-3,7-bis(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 64689592
3-benzyl-4-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 79007517
(1S,2S)-1,6-dimethyl-2-phenyl-1,2,3,4-tetrahydronaphthalene
CID 170728886
(2R,3R)-2-benzyl-3-methylaziridine
CID 15621251
3,7-dimethyl-1-[(3-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82249082
(4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 86326273
1-cyclopentyl-5-methyl-2,3-dihydro-1H-isoindole
CID 84733856
7-ethyl-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64689359

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-benzyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline (CID 64687004) is 3-benzyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-benzyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-benzyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline is Cc1ccc2c(c1)CNC(Cc1ccccc1)C2C.
What is the InChIKey of 3-benzyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is FFLOSHOTVDNQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13-8-9-17-14(2)18(19-12-16(17)10-13)11-15-6-4-3-5-7-15/h3-10,14,18-19H,11-12H2,1-2H3.
What are the key properties of 3-benzyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline?
3-benzyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 251.37 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64687004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).