1-[(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)methyl]pyrrolidine;hydrochloride

C17H24ClNO2 — CID 90673394

IUPAC1-[(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)methyl]pyrrolidine;hydrochloride
SMILESCOc1cc2c(cc1OC)CCC(CN1CCCC1)=C2.Cl
InChIInChI=1S/C17H23NO2.ClH/c1-19-16-10-14-6-5-13(12-18-7-3-4-8-18)9-15(14)11-17(16)20-2;/h9-11H,3-8,12H2,1-2H3;1H
InChIKeyKOYKSEDFUFTYQY-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.55
Rot. Bonds4

About 1-[(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)methyl]pyrrolidine;hydrochloride

1-[(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)methyl]pyrrolidine;hydrochloride (PubChem CID 90673394) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-[(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)methyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-[(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)methyl]pyrrolidine;hydrochloride
PubChem CID90673394
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name1-[(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)methyl]pyrrolidine;hydrochloride
SMILESCOc1cc2c(cc1OC)CCC(CN1CCCC1)=C2.Cl
InChIInChI=1S/C17H23NO2.ClH/c1-19-16-10-14-6-5-13(12-18-7-3-4-8-18)9-15(14)11-17(16)20-2;/h9-11H,3-8,12H2,1-2H3;1H
InChIKeyKOYKSEDFUFTYQY-UHFFFAOYSA-N
XLogP3.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)methyl]pyrrolidine;hydrochloride 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-[2-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)ethyl]-3-fluoropyrrolidine
CID 22104543
6,7-dimethoxy-3-methyl-1,2-dihydronaphthalene
CID 10703379
1-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]piperidine
CID 22104511
1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;hydrochloride
CID 14553348
(5E)-2,3-dimethoxy-7,8,9,10-tetrahydrobenzo[8]annulene-6-carboxylic acid
CID 10106763
3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1-piperidin-1-ylprop-2-en-1-one
CID 75243230
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892
1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidine
CID 166722775
(6,7-dipropoxy-3,4-dihydronaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;hydrochloride
CID 14676150
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144
6,7-dimethoxy-1-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 68647970
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565

Frequently Asked Questions

What is the IUPAC name of 1-[(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)methyl]pyrrolidine;hydrochloride?
The IUPAC name of 1-[(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)methyl]pyrrolidine;hydrochloride (CID 90673394) is 1-[(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)methyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 1-[(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)methyl]pyrrolidine;hydrochloride?
The canonical SMILES for 1-[(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)methyl]pyrrolidine;hydrochloride is COc1cc2c(cc1OC)CCC(CN1CCCC1)=C2.Cl.
What is the InChIKey of 1-[(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)methyl]pyrrolidine;hydrochloride?
The InChIKey is KOYKSEDFUFTYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2.ClH/c1-19-16-10-14-6-5-13(12-18-7-3-4-8-18)9-15(14)11-17(16)20-2;/h9-11H,3-8,12H2,1-2H3;1H.
What are the key properties of 1-[(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)methyl]pyrrolidine;hydrochloride?
1-[(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)methyl]pyrrolidine;hydrochloride has a molecular weight of 309.84 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)methyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 90673394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).