1-[(1R)-3-ethyl-7-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine

C20H31NO — CID 166876959

IUPAC1-[(1R)-3-ethyl-7-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
SMILESCCC[C@@H]1c2cc(OC)ccc2CC(CC)C1N1CCCC1
InChIInChI=1S/C20H31NO/c1-4-8-18-19-14-17(22-3)10-9-16(19)13-15(5-2)20(18)21-11-6-7-12-21/h9-10,14-15,18,20H,4-8,11-13H2,1-3H3/t15?,18-,20?/m1/s1
InChIKeyQFRGVZHDWGMLOK-RVSXGSNBSA-N
MW301.47 g/mol
LogP4.63
Rot. Bonds5

About 1-[(1R)-3-ethyl-7-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine

1-[(1R)-3-ethyl-7-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine (PubChem CID 166876959) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 1-[(1R)-3-ethyl-7-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(1R)-3-ethyl-7-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
PubChem CID166876959
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name1-[(1R)-3-ethyl-7-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
SMILESCCC[C@@H]1c2cc(OC)ccc2CC(CC)C1N1CCCC1
InChIInChI=1S/C20H31NO/c1-4-8-18-19-14-17(22-3)10-9-16(19)13-15(5-2)20(18)21-11-6-7-12-21/h9-10,14-15,18,20H,4-8,11-13H2,1-3H3/t15?,18-,20?/m1/s1
InChIKeyQFRGVZHDWGMLOK-RVSXGSNBSA-N
XLogP4.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(1R)-3-ethyl-7-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine with MolForge

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Related Compounds

(1S,9S,17S)-4-methoxy-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5-triene
CID 10106525
1-(2,7-dimethoxy-9H-fluoren-9-yl)pyrrolidine
CID 71339308
N-ethyl-6-methoxy-2-(3-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79370488
5-(2-amino-6-methoxy-2,3-dihydro-1H-inden-1-yl)pentanoic acid
CID 166125999
(3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole
CID 124549466
2-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine
CID 79234770
5-bromo-3,6-diethyl-N-[(1S,2S)-2-ethyl-6-methoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 86588869
2-(3-ethyl-4-methylpiperazin-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370890
6-methoxy-2-(3-methylpyrrolidin-1-yl)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79370654
6-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82275574
5-methoxy-1,3-dipropyl-2,3-dihydroindole
CID 83960216
3-ethyl-7-methoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 83970711

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-ethyl-7-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
The IUPAC name of 1-[(1R)-3-ethyl-7-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine (CID 166876959) is 1-[(1R)-3-ethyl-7-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine.
What is the SMILES notation for 1-[(1R)-3-ethyl-7-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
The canonical SMILES for 1-[(1R)-3-ethyl-7-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine is CCC[C@@H]1c2cc(OC)ccc2CC(CC)C1N1CCCC1.
What is the InChIKey of 1-[(1R)-3-ethyl-7-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
The InChIKey is QFRGVZHDWGMLOK-RVSXGSNBSA-N. The full InChI is InChI=1S/C20H31NO/c1-4-8-18-19-14-17(22-3)10-9-16(19)13-15(5-2)20(18)21-11-6-7-12-21/h9-10,14-15,18,20H,4-8,11-13H2,1-3H3/t15?,18-,20?/m1/s1.
What are the key properties of 1-[(1R)-3-ethyl-7-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
1-[(1R)-3-ethyl-7-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine has a molecular weight of 301.47 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-ethyl-7-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine is sourced from PubChem (CID 166876959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).