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

C13H19N — CID 64686607

IUPAC3-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1Cc2ccccc2C(C(C)C)N1
InChIInChI=1S/C13H19N/c1-9(2)13-12-7-5-4-6-11(12)8-10(3)14-13/h4-7,9-10,13-14H,8H2,1-3H3
InChIKeyQQTFAFHEMCXPEN-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.92
Rot. Bonds1

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

3-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64686607) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID64686607
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1Cc2ccccc2C(C(C)C)N1
InChIInChI=1S/C13H19N/c1-9(2)13-12-7-5-4-6-11(12)8-10(3)14-13/h4-7,9-10,13-14H,8H2,1-3H3
InChIKeyQQTFAFHEMCXPEN-UHFFFAOYSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-1-propan-2-yl-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

(1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole
CID 158376445
3-methyl-1-propan-2-yl-1,2,3,4,6,7,8,9-octahydrobenzo[g]isoquinoline
CID 83970595
(1S,3R)-3-methyl-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 7040445
2-methyl-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-1-one
CID 123268404
1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
CID 129028557
3-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine
CID 66218911
(1S,3S)-1,3-dimethyl-3,4-dihydro-1H-isochromene
CID 6429796
(2S)-1-methyl-2-pentan-3-yl-2,3-dihydro-1H-indene
CID 163961847
2,3-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 23532958
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
3-(2-methylpropyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 123461490
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propan-2-ylpiperazine
CID 66396451

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (CID 64686607) is 3-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is CC1Cc2ccccc2C(C(C)C)N1.
What is the InChIKey of 3-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QQTFAFHEMCXPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-9(2)13-12-7-5-4-6-11(12)8-10(3)14-13/h4-7,9-10,13-14H,8H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
3-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 189.30 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64686607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).