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

C35H46N2O4 — CID 66625589

IUPAC6-[2-[ethyl-[[4-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCN(Cc1ccc(OCCN(C)CC2CCOCC2)cc1)c1cc(OC)ccc1C1CCc2cc(O)ccc2C1
InChIInChI=1S/C35H46N2O4/c1-4-37(25-26-5-11-32(12-6-26)41-20-17-36(2)24-27-15-18-40-19-16-27)35-23-33(39-3)13-14-34(35)30-8-7-29-22-31(38)10-9-28(29)21-30/h5-6,9-14,22-23,27,30,38H,4,7-8,15-21,24-25H2,1-3H3
InChIKeyLSXCJLAKBIMNQQ-UHFFFAOYSA-N
MW558.76 g/mol
LogP6.44
Rot. Bonds12

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

6-[2-[ethyl-[[4-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 66625589) has the molecular formula C35H46N2O4 and a molecular weight of 558.76 g/mol. Its IUPAC name is 6-[2-[ethyl-[[4-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-[2-[ethyl-[[4-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID66625589
Molecular FormulaC35H46N2O4
Molecular Weight558.76 g/mol
Exact Mass558.35
IUPAC Name6-[2-[ethyl-[[4-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCN(Cc1ccc(OCCN(C)CC2CCOCC2)cc1)c1cc(OC)ccc1C1CCc2cc(O)ccc2C1
InChIInChI=1S/C35H46N2O4/c1-4-37(25-26-5-11-32(12-6-26)41-20-17-36(2)24-27-15-18-40-19-16-27)35-23-33(39-3)13-14-34(35)30-8-7-29-22-31(38)10-9-28(29)21-30/h5-6,9-14,22-23,27,30,38H,4,7-8,15-21,24-25H2,1-3H3
InChIKeyLSXCJLAKBIMNQQ-UHFFFAOYSA-N
XLogP6.44
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.76
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[ethyl-[[4-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 6-[2-[ethyl-[[4-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 66625589) is 6-[2-[ethyl-[[4-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 6-[2-[ethyl-[[4-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 6-[2-[ethyl-[[4-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is CCN(Cc1ccc(OCCN(C)CC2CCOCC2)cc1)c1cc(OC)ccc1C1CCc2cc(O)ccc2C1.
What is the InChIKey of 6-[2-[ethyl-[[4-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is LSXCJLAKBIMNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46N2O4/c1-4-37(25-26-5-11-32(12-6-26)41-20-17-36(2)24-27-15-18-40-19-16-27)35-23-33(39-3)13-14-34(35)30-8-7-29-22-31(38)10-9-28(29)21-30/h5-6,9-14,22-23,27,30,38H,4,7-8,15-21,24-25H2,1-3H3.
What are the key properties of 6-[2-[ethyl-[[4-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
6-[2-[ethyl-[[4-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 558.76 g/mol, XLogP of 6.44, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[ethyl-[[4-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 66625589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).