(1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine

C30H36N2O2 — CID 162767640

IUPAC(1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@@H]1CCCc2c(OCCc3ccc(CCOc4cccc5c4CCC[C@H]5N)cc3)cccc21
InChIInChI=1S/C30H36N2O2/c31-27-9-1-7-25-23(27)5-3-11-29(25)33-19-17-21-13-15-22(16-14-21)18-20-34-30-12-4-6-24-26(30)8-2-10-28(24)32/h3-6,11-16,27-28H,1-2,7-10,17-20,31-32H2/t27-,28-/m1/s1
InChIKeyOCHHVOXQDOPULF-VSGBNLITSA-N
MW456.63 g/mol
LogP5.60
Rot. Bonds8

About (1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 162767640) has the molecular formula C30H36N2O2 and a molecular weight of 456.63 g/mol. Its IUPAC name is (1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID162767640
Molecular FormulaC30H36N2O2
Molecular Weight456.63 g/mol
Exact Mass456.28
IUPAC Name(1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@@H]1CCCc2c(OCCc3ccc(CCOc4cccc5c4CCC[C@H]5N)cc3)cccc21
InChIInChI=1S/C30H36N2O2/c31-27-9-1-7-25-23(27)5-3-11-29(25)33-19-17-21-13-15-22(16-14-21)18-20-34-30-12-4-6-24-26(30)8-2-10-28(24)32/h3-6,11-16,27-28H,1-2,7-10,17-20,31-32H2/t27-,28-/m1/s1
InChIKeyOCHHVOXQDOPULF-VSGBNLITSA-N
XLogP5.60
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 162767640) is (1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is N[C@@H]1CCCc2c(OCCc3ccc(CCOc4cccc5c4CCC[C@H]5N)cc3)cccc21.
What is the InChIKey of (1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is OCHHVOXQDOPULF-VSGBNLITSA-N. The full InChI is InChI=1S/C30H36N2O2/c31-27-9-1-7-25-23(27)5-3-11-29(25)33-19-17-21-13-15-22(16-14-21)18-20-34-30-12-4-6-24-26(30)8-2-10-28(24)32/h3-6,11-16,27-28H,1-2,7-10,17-20,31-32H2/t27-,28-/m1/s1.
What are the key properties of (1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 456.63 g/mol, XLogP of 5.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 162767640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).