4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

C19H22N2 — CID 65262029

IUPAC4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCC1Cc2ccccc2N1CC1CNCc2ccccc21
InChIInChI=1S/C19H22N2/c1-14-10-15-6-3-5-9-19(15)21(14)13-17-12-20-11-16-7-2-4-8-18(16)17/h2-9,14,17,20H,10-13H2,1H3
InChIKeyUKNFMGPCYYYHCW-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.32
Rot. Bonds2

About 4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 65262029) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID65262029
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCC1Cc2ccccc2N1CC1CNCc2ccccc21
InChIInChI=1S/C19H22N2/c1-14-10-15-6-3-5-9-19(15)21(14)13-17-12-20-11-16-7-2-4-8-18(16)17/h2-9,14,17,20H,10-13H2,1H3
InChIKeyUKNFMGPCYYYHCW-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-butan-2-ylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262520
4-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262220
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 64989430
4-[(3,5-dimethylcyclohexyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505025
2-methyl-1-(piperidin-2-ylmethyl)-2,3-dihydroindole
CID 24692606
4-(methylsulfonylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104290
4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262476
4-[(4,4-dimethylazepan-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65282926
4-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505002
1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199928
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-2-amine
CID 65262461
4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505031

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 65262029) is 4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is CC1Cc2ccccc2N1CC1CNCc2ccccc21.
What is the InChIKey of 4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UKNFMGPCYYYHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-14-10-15-6-3-5-9-19(15)21(14)13-17-12-20-11-16-7-2-4-8-18(16)17/h2-9,14,17,20H,10-13H2,1H3.
What are the key properties of 4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 278.40 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 65262029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).