1-[6-[2-[(3-methoxy-2-pyridinyl)oxy]ethylamino]hexyl]-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride

C38H50Cl3N3O4 — CID 67640153

IUPAC1-[6-[2-[(3-methoxy-2-pyridinyl)oxy]ethylamino]hexyl]-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride
SMILESCOc1cccnc1OCCNCCCCCCC1c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2CCC1N.Cl.Cl.Cl
InChIInChI=1S/C38H47N3O4.3ClH/c1-42-36-18-12-24-41-38(36)43-26-25-40-23-11-3-2-10-17-32-31-20-22-35(44-27-29-13-6-4-7-14-29)37(33(31)19-21-34(32)39)45-28-30-15-8-5-9-16-30;;;/h4-9,12-16,18,20,22,24,32,34,40H,2-3,10-11,17,19,21,23,25-28,39H2,1H3;3*1H
InChIKeyLGQOBGGTRBXGFI-UHFFFAOYSA-N
MW719.19 g/mol
LogP8.49
Rot. Bonds18

About 1-[6-[2-[(3-methoxy-2-pyridinyl)oxy]ethylamino]hexyl]-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride

1-[6-[2-[(3-methoxy-2-pyridinyl)oxy]ethylamino]hexyl]-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride (PubChem CID 67640153) has the molecular formula C38H50Cl3N3O4 and a molecular weight of 719.19 g/mol. Its IUPAC name is 1-[6-[2-[(3-methoxy-2-pyridinyl)oxy]ethylamino]hexyl]-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride.

Molecular Properties

Compound Name1-[6-[2-[(3-methoxy-2-pyridinyl)oxy]ethylamino]hexyl]-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride
PubChem CID67640153
Molecular FormulaC38H50Cl3N3O4
Molecular Weight719.19 g/mol
Exact Mass717.29
IUPAC Name1-[6-[2-[(3-methoxy-2-pyridinyl)oxy]ethylamino]hexyl]-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride
SMILESCOc1cccnc1OCCNCCCCCCC1c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2CCC1N.Cl.Cl.Cl
InChIInChI=1S/C38H47N3O4.3ClH/c1-42-36-18-12-24-41-38(36)43-26-25-40-23-11-3-2-10-17-32-31-20-22-35(44-27-29-13-6-4-7-14-29)37(33(31)19-21-34(32)39)45-28-30-15-8-5-9-16-30;;;/h4-9,12-16,18,20,22,24,32,34,40H,2-3,10-11,17,19,21,23,25-28,39H2,1H3;3*1H
InChIKeyLGQOBGGTRBXGFI-UHFFFAOYSA-N
XLogP8.49
TPSA87.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.19
LogP ≤ 58.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[6-[2-[(3-methoxy-2-pyridinyl)oxy]ethylamino]hexyl]-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride 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 1-[6-[2-[(3-methoxy-2-pyridinyl)oxy]ethylamino]hexyl]-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride?
The IUPAC name of 1-[6-[2-[(3-methoxy-2-pyridinyl)oxy]ethylamino]hexyl]-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride (CID 67640153) is 1-[6-[2-[(3-methoxy-2-pyridinyl)oxy]ethylamino]hexyl]-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride.
What is the SMILES notation for 1-[6-[2-[(3-methoxy-2-pyridinyl)oxy]ethylamino]hexyl]-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride?
The canonical SMILES for 1-[6-[2-[(3-methoxy-2-pyridinyl)oxy]ethylamino]hexyl]-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride is COc1cccnc1OCCNCCCCCCC1c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2CCC1N.Cl.Cl.Cl.
What is the InChIKey of 1-[6-[2-[(3-methoxy-2-pyridinyl)oxy]ethylamino]hexyl]-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride?
The InChIKey is LGQOBGGTRBXGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H47N3O4.3ClH/c1-42-36-18-12-24-41-38(36)43-26-25-40-23-11-3-2-10-17-32-31-20-22-35(44-27-29-13-6-4-7-14-29)37(33(31)19-21-34(32)39)45-28-30-15-8-5-9-16-30;;;/h4-9,12-16,18,20,22,24,32,34,40H,2-3,10-11,17,19,21,23,25-28,39H2,1H3;3*1H.
What are the key properties of 1-[6-[2-[(3-methoxy-2-pyridinyl)oxy]ethylamino]hexyl]-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride?
1-[6-[2-[(3-methoxy-2-pyridinyl)oxy]ethylamino]hexyl]-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride has a molecular weight of 719.19 g/mol, XLogP of 8.49, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-[(3-methoxy-2-pyridinyl)oxy]ethylamino]hexyl]-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride is sourced from PubChem (CID 67640153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).