6-[2-[[4-[2-(diethylamino)ethyl]phenyl]methyl-ethylamino]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C31H40N2O — CID 76651701

IUPAC6-[2-[[4-[2-(diethylamino)ethyl]phenyl]methyl-ethylamino]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCN(CC)CCc1ccc(CN(CC)c2ccccc2C2CCc3cc(O)ccc3C2)cc1
InChIInChI=1S/C31H40N2O/c1-4-32(5-2)20-19-24-11-13-25(14-12-24)23-33(6-3)31-10-8-7-9-30(31)28-16-15-27-22-29(34)18-17-26(27)21-28/h7-14,17-18,22,28,34H,4-6,15-16,19-21,23H2,1-3H3
InChIKeyBFWRCZOLHFLUNG-UHFFFAOYSA-N
MW456.67 g/mol
LogP6.58
Rot. Bonds10

About 6-[2-[[4-[2-(diethylamino)ethyl]phenyl]methyl-ethylamino]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

6-[2-[[4-[2-(diethylamino)ethyl]phenyl]methyl-ethylamino]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 76651701) has the molecular formula C31H40N2O and a molecular weight of 456.67 g/mol. Its IUPAC name is 6-[2-[[4-[2-(diethylamino)ethyl]phenyl]methyl-ethylamino]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-[2-[[4-[2-(diethylamino)ethyl]phenyl]methyl-ethylamino]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID76651701
Molecular FormulaC31H40N2O
Molecular Weight456.67 g/mol
Exact Mass456.31
IUPAC Name6-[2-[[4-[2-(diethylamino)ethyl]phenyl]methyl-ethylamino]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCN(CC)CCc1ccc(CN(CC)c2ccccc2C2CCc3cc(O)ccc3C2)cc1
InChIInChI=1S/C31H40N2O/c1-4-32(5-2)20-19-24-11-13-25(14-12-24)23-33(6-3)31-10-8-7-9-30(31)28-16-15-27-22-29(34)18-17-26(27)21-28/h7-14,17-18,22,28,34H,4-6,15-16,19-21,23H2,1-3H3
InChIKeyBFWRCZOLHFLUNG-UHFFFAOYSA-N
XLogP6.58
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.67
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[4-[2-(diethylamino)ethyl]phenyl]methyl-ethylamino]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 6-[2-[[4-[2-(diethylamino)ethyl]phenyl]methyl-ethylamino]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 76651701) is 6-[2-[[4-[2-(diethylamino)ethyl]phenyl]methyl-ethylamino]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 6-[2-[[4-[2-(diethylamino)ethyl]phenyl]methyl-ethylamino]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 6-[2-[[4-[2-(diethylamino)ethyl]phenyl]methyl-ethylamino]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is CCN(CC)CCc1ccc(CN(CC)c2ccccc2C2CCc3cc(O)ccc3C2)cc1.
What is the InChIKey of 6-[2-[[4-[2-(diethylamino)ethyl]phenyl]methyl-ethylamino]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is BFWRCZOLHFLUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N2O/c1-4-32(5-2)20-19-24-11-13-25(14-12-24)23-33(6-3)31-10-8-7-9-30(31)28-16-15-27-22-29(34)18-17-26(27)21-28/h7-14,17-18,22,28,34H,4-6,15-16,19-21,23H2,1-3H3.
What are the key properties of 6-[2-[[4-[2-(diethylamino)ethyl]phenyl]methyl-ethylamino]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
6-[2-[[4-[2-(diethylamino)ethyl]phenyl]methyl-ethylamino]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 456.67 g/mol, XLogP of 6.58, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[4-[2-(diethylamino)ethyl]phenyl]methyl-ethylamino]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 76651701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).