6-[2-[ethyl-[[4-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C35H46N2O5 — CID 66628124

IUPAC6-[2-[ethyl-[[4-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCN(Cc1ccc(OCCN(C)C2CCOCC2)cc1)c1cc(OC)c(OC)cc1C1CCc2cc(O)ccc2C1
InChIInChI=1S/C35H46N2O5/c1-5-37(24-25-6-12-31(13-7-25)42-19-16-36(2)29-14-17-41-18-15-29)33-23-35(40-4)34(39-3)22-32(33)28-9-8-27-21-30(38)11-10-26(27)20-28/h6-7,10-13,21-23,28-29,38H,5,8-9,14-20,24H2,1-4H3
InChIKeyCWKZNYYFDLCRLA-UHFFFAOYSA-N
MW574.76 g/mol
LogP6.20
Rot. Bonds12

About 6-[2-[ethyl-[[4-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

6-[2-[ethyl-[[4-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 66628124) has the molecular formula C35H46N2O5 and a molecular weight of 574.76 g/mol. Its IUPAC name is 6-[2-[ethyl-[[4-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-[2-[ethyl-[[4-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID66628124
Molecular FormulaC35H46N2O5
Molecular Weight574.76 g/mol
Exact Mass574.34
IUPAC Name6-[2-[ethyl-[[4-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCN(Cc1ccc(OCCN(C)C2CCOCC2)cc1)c1cc(OC)c(OC)cc1C1CCc2cc(O)ccc2C1
InChIInChI=1S/C35H46N2O5/c1-5-37(24-25-6-12-31(13-7-25)42-19-16-36(2)29-14-17-41-18-15-29)33-23-35(40-4)34(39-3)22-32(33)28-9-8-27-21-30(38)11-10-26(27)20-28/h6-7,10-13,21-23,28-29,38H,5,8-9,14-20,24H2,1-4H3
InChIKeyCWKZNYYFDLCRLA-UHFFFAOYSA-N
XLogP6.20
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.76
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[ethyl-[[4-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 6-[2-[ethyl-[[4-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 66628124) is 6-[2-[ethyl-[[4-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 6-[2-[ethyl-[[4-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 6-[2-[ethyl-[[4-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is CCN(Cc1ccc(OCCN(C)C2CCOCC2)cc1)c1cc(OC)c(OC)cc1C1CCc2cc(O)ccc2C1.
What is the InChIKey of 6-[2-[ethyl-[[4-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is CWKZNYYFDLCRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46N2O5/c1-5-37(24-25-6-12-31(13-7-25)42-19-16-36(2)29-14-17-41-18-15-29)33-23-35(40-4)34(39-3)22-32(33)28-9-8-27-21-30(38)11-10-26(27)20-28/h6-7,10-13,21-23,28-29,38H,5,8-9,14-20,24H2,1-4H3.
What are the key properties of 6-[2-[ethyl-[[4-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
6-[2-[ethyl-[[4-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 574.76 g/mol, XLogP of 6.20, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[ethyl-[[4-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 66628124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).