N-ethyl-8-methoxy-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;7-[ethyl(pyridin-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol

C37H46N4O2 — CID 143833197

IUPACN-ethyl-8-methoxy-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;7-[ethyl(pyridin-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCN(Cc1ccncc1)C1CCc2cccc(O)c2C1.CCN(Cc1ccncc1)C1CCc2cccc(OC)c2C1
InChIInChI=1S/C19H24N2O.C18H22N2O/c1-3-21(14-15-9-11-20-12-10-15)17-8-7-16-5-4-6-19(22-2)18(16)13-17;1-2-20(13-14-8-10-19-11-9-14)16-7-6-15-4-3-5-18(21)17(15)12-16/h4-6,9-12,17H,3,7-8,13-14H2,1-2H3;3-5,8-11,16,21H,2,6-7,12-13H2,1H3
InChIKeyOBMYWFIBAIBWDE-UHFFFAOYSA-N
MW578.80 g/mol
LogP6.64
Rot. Bonds9

About N-ethyl-8-methoxy-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;7-[ethyl(pyridin-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol

N-ethyl-8-methoxy-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;7-[ethyl(pyridin-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 143833197) has the molecular formula C37H46N4O2 and a molecular weight of 578.80 g/mol. Its IUPAC name is N-ethyl-8-methoxy-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;7-[ethyl(pyridin-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound NameN-ethyl-8-methoxy-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;7-[ethyl(pyridin-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID143833197
Molecular FormulaC37H46N4O2
Molecular Weight578.80 g/mol
Exact Mass578.36
IUPAC NameN-ethyl-8-methoxy-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;7-[ethyl(pyridin-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCN(Cc1ccncc1)C1CCc2cccc(O)c2C1.CCN(Cc1ccncc1)C1CCc2cccc(OC)c2C1
InChIInChI=1S/C19H24N2O.C18H22N2O/c1-3-21(14-15-9-11-20-12-10-15)17-8-7-16-5-4-6-19(22-2)18(16)13-17;1-2-20(13-14-8-10-19-11-9-14)16-7-6-15-4-3-5-18(21)17(15)12-16/h4-6,9-12,17H,3,7-8,13-14H2,1-2H3;3-5,8-11,16,21H,2,6-7,12-13H2,1H3
InChIKeyOBMYWFIBAIBWDE-UHFFFAOYSA-N
XLogP6.64
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.80
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-8-methoxy-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;7-[ethyl(pyridin-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-methoxy-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;7-[ethyl(pyridin-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of N-ethyl-8-methoxy-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;7-[ethyl(pyridin-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 143833197) is N-ethyl-8-methoxy-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;7-[ethyl(pyridin-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for N-ethyl-8-methoxy-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;7-[ethyl(pyridin-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for N-ethyl-8-methoxy-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;7-[ethyl(pyridin-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol is CCN(Cc1ccncc1)C1CCc2cccc(O)c2C1.CCN(Cc1ccncc1)C1CCc2cccc(OC)c2C1.
What is the InChIKey of N-ethyl-8-methoxy-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;7-[ethyl(pyridin-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is OBMYWFIBAIBWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O.C18H22N2O/c1-3-21(14-15-9-11-20-12-10-15)17-8-7-16-5-4-6-19(22-2)18(16)13-17;1-2-20(13-14-8-10-19-11-9-14)16-7-6-15-4-3-5-18(21)17(15)12-16/h4-6,9-12,17H,3,7-8,13-14H2,1-2H3;3-5,8-11,16,21H,2,6-7,12-13H2,1H3.
What are the key properties of N-ethyl-8-methoxy-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;7-[ethyl(pyridin-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
N-ethyl-8-methoxy-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;7-[ethyl(pyridin-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 578.80 g/mol, XLogP of 6.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-methoxy-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;7-[ethyl(pyridin-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 143833197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).