6,7-dimethyl-2-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline

C28H34N2 — CID 19803637

IUPAC6,7-dimethyl-2-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline
SMILESCc1cc2c(cc1C)CN(CC1CCN(CCc3cccc4ccccc34)C1)CC2
InChIInChI=1S/C28H34N2/c1-21-16-26-12-15-30(20-27(26)17-22(21)2)19-23-10-13-29(18-23)14-11-25-8-5-7-24-6-3-4-9-28(24)25/h3-9,16-17,23H,10-15,18-20H2,1-2H3
InChIKeyXJAFIGRUKQGJAN-UHFFFAOYSA-N
MW398.59 g/mol
LogP5.38
Rot. Bonds5

About 6,7-dimethyl-2-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline

6,7-dimethyl-2-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 19803637) has the molecular formula C28H34N2 and a molecular weight of 398.59 g/mol. Its IUPAC name is 6,7-dimethyl-2-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-dimethyl-2-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID19803637
Molecular FormulaC28H34N2
Molecular Weight398.59 g/mol
Exact Mass398.27
IUPAC Name6,7-dimethyl-2-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline
SMILESCc1cc2c(cc1C)CN(CC1CCN(CCc3cccc4ccccc34)C1)CC2
InChIInChI=1S/C28H34N2/c1-21-16-26-12-15-30(20-27(26)17-22(21)2)19-23-10-13-29(18-23)14-11-25-8-5-7-24-6-3-4-9-28(24)25/h3-9,16-17,23H,10-15,18-20H2,1-2H3
InChIKeyXJAFIGRUKQGJAN-UHFFFAOYSA-N
XLogP5.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.59
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,7-dimethyl-2-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline 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

1-[3-[(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]piperidin-1-yl]-3-naphthalen-1-ylpropan-2-ol;dihydrochloride
CID 19804026
2-[[1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-3-yl]methyl]-6,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 14306726
2-[[1-(2-hydroxy-4-naphthalen-1-ylbutyl)pyrrolidin-3-yl]methyl]-6,7-dimethyl-3,4-dihydroisoquinolin-1-one
CID 19803544
6-[[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 14306748
1-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]indole-6-carbonitrile
CID 21201388
6-[[1-(3-naphthalen-1-yloxypropyl)piperidin-3-yl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 139722017
3-[[1-[3-(1H-indol-3-yl)propyl]pyrrolidin-3-yl]methyl]-7,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one
CID 19804129
N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 79749734
2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 79749802
1-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]azepan-1-yl]-3-(5,6-dimethoxynaphthalen-1-yl)propan-2-ol;dihydrochloride
CID 19804180
7,8-dimethyl-3-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 14306787
7-[[1-[3-(1H-indol-3-yl)propyl]pyrrolidin-3-yl]methyl]-5,6,8,9-tetrahydro-[1,3]dioxolo[4,5-h][3]benzazepine
CID 67918694

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,7-dimethyl-2-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline (CID 19803637) is 6,7-dimethyl-2-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-dimethyl-2-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,7-dimethyl-2-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline is Cc1cc2c(cc1C)CN(CC1CCN(CCc3cccc4ccccc34)C1)CC2.
What is the InChIKey of 6,7-dimethyl-2-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is XJAFIGRUKQGJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2/c1-21-16-26-12-15-30(20-27(26)17-22(21)2)19-23-10-13-29(18-23)14-11-25-8-5-7-24-6-3-4-9-28(24)25/h3-9,16-17,23H,10-15,18-20H2,1-2H3.
What are the key properties of 6,7-dimethyl-2-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline?
6,7-dimethyl-2-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 398.59 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 19803637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).