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

C35H46N2O5 — CID 58023123

IUPAC(6R)-6-[2-[ethyl-[[4-[2-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCN(Cc1ccc(OCCN(C)C[C@H]2CCCO2)cc1)c1cc(OC)c(OC)cc1[C@@H]1CCc2cc(O)ccc2C1
InChIInChI=1S/C35H46N2O5/c1-5-37(23-25-8-14-30(15-9-25)42-18-16-36(2)24-31-7-6-17-41-31)33-22-35(40-4)34(39-3)21-32(33)28-11-10-27-20-29(38)13-12-26(27)19-28/h8-9,12-15,20-22,28,31,38H,5-7,10-11,16-19,23-24H2,1-4H3/t28-,31-/m1/s1
InChIKeyZGAJHUQQECMULA-GRKNLSHJSA-N
MW574.76 g/mol
LogP6.20
Rot. Bonds13

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

(6R)-6-[2-[ethyl-[[4-[2-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 58023123) has the molecular formula C35H46N2O5 and a molecular weight of 574.76 g/mol. Its IUPAC name is (6R)-6-[2-[ethyl-[[4-[2-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(6R)-6-[2-[ethyl-[[4-[2-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID58023123
Molecular FormulaC35H46N2O5
Molecular Weight574.76 g/mol
Exact Mass574.34
IUPAC Name(6R)-6-[2-[ethyl-[[4-[2-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCN(Cc1ccc(OCCN(C)C[C@H]2CCCO2)cc1)c1cc(OC)c(OC)cc1[C@@H]1CCc2cc(O)ccc2C1
InChIInChI=1S/C35H46N2O5/c1-5-37(23-25-8-14-30(15-9-25)42-18-16-36(2)24-31-7-6-17-41-31)33-22-35(40-4)34(39-3)21-32(33)28-11-10-27-20-29(38)13-12-26(27)19-28/h8-9,12-15,20-22,28,31,38H,5-7,10-11,16-19,23-24H2,1-4H3/t28-,31-/m1/s1
InChIKeyZGAJHUQQECMULA-GRKNLSHJSA-N
XLogP6.20
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
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'}

Analyze (6R)-6-[2-[ethyl-[[4-[2-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[2-[ethyl-[[4-[2-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (6R)-6-[2-[ethyl-[[4-[2-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 58023123) is (6R)-6-[2-[ethyl-[[4-[2-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (6R)-6-[2-[ethyl-[[4-[2-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (6R)-6-[2-[ethyl-[[4-[2-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is CCN(Cc1ccc(OCCN(C)C[C@H]2CCCO2)cc1)c1cc(OC)c(OC)cc1[C@@H]1CCc2cc(O)ccc2C1.
What is the InChIKey of (6R)-6-[2-[ethyl-[[4-[2-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is ZGAJHUQQECMULA-GRKNLSHJSA-N. The full InChI is InChI=1S/C35H46N2O5/c1-5-37(23-25-8-14-30(15-9-25)42-18-16-36(2)24-31-7-6-17-41-31)33-22-35(40-4)34(39-3)21-32(33)28-11-10-27-20-29(38)13-12-26(27)19-28/h8-9,12-15,20-22,28,31,38H,5-7,10-11,16-19,23-24H2,1-4H3/t28-,31-/m1/s1.
What are the key properties of (6R)-6-[2-[ethyl-[[4-[2-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
(6R)-6-[2-[ethyl-[[4-[2-[methyl-[[(2R)-oxolan-2-yl]methyl]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, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[2-[ethyl-[[4-[2-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 58023123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).