1-[4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylmethanamine

C20H23N3 — CID 68996951

IUPAC1-[4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylmethanamine
SMILESCNCc1ccc2c(c1)CN(C)CC2c1ccc2cc[nH]c2c1
InChIInChI=1S/C20H23N3/c1-21-11-14-3-6-18-17(9-14)12-23(2)13-19(18)16-5-4-15-7-8-22-20(15)10-16/h3-10,19,21-22H,11-13H2,1-2H3
InChIKeyRUGFDQXLFWQFQE-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.46
Rot. Bonds3

About 1-[4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylmethanamine

1-[4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylmethanamine (PubChem CID 68996951) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-[4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylmethanamine
PubChem CID68996951
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name1-[4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylmethanamine
SMILESCNCc1ccc2c(c1)CN(C)CC2c1ccc2cc[nH]c2c1
InChIInChI=1S/C20H23N3/c1-21-11-14-3-6-18-17(9-14)12-23(2)13-19(18)16-5-4-15-7-8-22-20(15)10-16/h3-10,19,21-22H,11-13H2,1-2H3
InChIKeyRUGFDQXLFWQFQE-UHFFFAOYSA-N
XLogP3.46
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylmethanamine with MolForge

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Related Compounds

4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
CID 69001139
4-(1H-indol-6-yl)-2-methyl-7-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline
CID 68998656
4-[4-(1H-indol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68993734
4-(1H-indazol-6-yl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 68994309
7-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68996534
4-(1H-indazol-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 68997660
6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine
CID 68995611
(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 129384739
7-bromo-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline;(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol;(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methanol;[(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]methanol
CID 159778265
4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68995503
2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 68996070
(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl) trifluoromethanesulfonate
CID 87201660

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylmethanamine (CID 68996951) is 1-[4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylmethanamine is CNCc1ccc2c(c1)CN(C)CC2c1ccc2cc[nH]c2c1.
What is the InChIKey of 1-[4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylmethanamine?
The InChIKey is RUGFDQXLFWQFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-21-11-14-3-6-18-17(9-14)12-23(2)13-19(18)16-5-4-15-7-8-22-20(15)10-16/h3-10,19,21-22H,11-13H2,1-2H3.
What are the key properties of 1-[4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylmethanamine?
1-[4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylmethanamine has a molecular weight of 305.43 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylmethanamine is sourced from PubChem (CID 68996951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).