(5R)-5-[[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol

C21H25NO3 — CID 10545056

IUPAC(5R)-5-[[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCN(CCc1ccc2c(c1)OCO2)C[C@@H]1CCCc2c(O)cccc21
InChIInChI=1S/C21H25NO3/c1-22(11-10-15-8-9-20-21(12-15)25-14-24-20)13-16-4-2-6-18-17(16)5-3-7-19(18)23/h3,5,7-9,12,16,23H,2,4,6,10-11,13-14H2,1H3/t16-/m0/s1
InChIKeyMECKYHKPXNUNIA-INIZCTEOSA-N
MW339.44 g/mol
LogP3.72
Rot. Bonds5

About (5R)-5-[[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol

(5R)-5-[[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 10545056) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (5R)-5-[[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(5R)-5-[[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID10545056
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(5R)-5-[[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCN(CCc1ccc2c(c1)OCO2)C[C@@H]1CCCc2c(O)cccc21
InChIInChI=1S/C21H25NO3/c1-22(11-10-15-8-9-20-21(12-15)25-14-24-20)13-16-4-2-6-18-17(16)5-3-7-19(18)23/h3,5,7-9,12,16,23H,2,4,6,10-11,13-14H2,1H3/t16-/m0/s1
InChIKeyMECKYHKPXNUNIA-INIZCTEOSA-N
XLogP3.72
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-5-[[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol with MolForge

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Related Compounds

2-(2,3-dihydro-1-benzofuran-6-yl)-N-methyl-N-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]ethanamine
CID 67875847
5-[2-[methyl-[[(6R)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-yl]methyl]amino]ethyl]-1,3-dihydroindol-2-one
CID 67875763
2-(3,4-dihydro-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 19098393
7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-benzoxathiin-3-one
CID 19098488
2-(1,3-benzoxazol-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 19098357
5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 19882664
2-(1,3-benzodioxol-5-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208449
6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]chromen-4-one
CID 19098566
2-isoquinolin-7-yl-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 19098384
2-(1,3-benzodioxol-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-prop-2-ynylacetamide
CID 10620478
N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 19098557
3-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]phenol
CID 15029870

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of (5R)-5-[[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 10545056) is (5R)-5-[[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (5R)-5-[[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for (5R)-5-[[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol is CN(CCc1ccc2c(c1)OCO2)C[C@@H]1CCCc2c(O)cccc21.
What is the InChIKey of (5R)-5-[[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is MECKYHKPXNUNIA-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25NO3/c1-22(11-10-15-8-9-20-21(12-15)25-14-24-20)13-16-4-2-6-18-17(16)5-3-7-19(18)23/h3,5,7-9,12,16,23H,2,4,6,10-11,13-14H2,1H3/t16-/m0/s1.
What are the key properties of (5R)-5-[[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol?
(5R)-5-[[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 339.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 10545056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).