1-[3-amino-4-methoxy-2-[[4-[2-(2-methoxyethylamino)ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C29H36N2O4 — CID 67252121

IUPAC1-[3-amino-4-methoxy-2-[[4-[2-(2-methoxyethylamino)ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOCCNCCOc1ccc(Cc2c(-c3c(O)ccc4c3CCCC4)ccc(OC)c2N)cc1
InChIInChI=1S/C29H36N2O4/c1-33-17-15-31-16-18-35-22-10-7-20(8-11-22)19-25-24(12-14-27(34-2)29(25)30)28-23-6-4-3-5-21(23)9-13-26(28)32/h7-14,31-32H,3-6,15-19,30H2,1-2H3
InChIKeyRUFUWVMVDMPBKI-UHFFFAOYSA-N
MW476.62 g/mol
LogP4.73
Rot. Bonds11

About 1-[3-amino-4-methoxy-2-[[4-[2-(2-methoxyethylamino)ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

1-[3-amino-4-methoxy-2-[[4-[2-(2-methoxyethylamino)ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 67252121) has the molecular formula C29H36N2O4 and a molecular weight of 476.62 g/mol. Its IUPAC name is 1-[3-amino-4-methoxy-2-[[4-[2-(2-methoxyethylamino)ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-[3-amino-4-methoxy-2-[[4-[2-(2-methoxyethylamino)ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID67252121
Molecular FormulaC29H36N2O4
Molecular Weight476.62 g/mol
Exact Mass476.27
IUPAC Name1-[3-amino-4-methoxy-2-[[4-[2-(2-methoxyethylamino)ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOCCNCCOc1ccc(Cc2c(-c3c(O)ccc4c3CCCC4)ccc(OC)c2N)cc1
InChIInChI=1S/C29H36N2O4/c1-33-17-15-31-16-18-35-22-10-7-20(8-11-22)19-25-24(12-14-27(34-2)29(25)30)28-23-6-4-3-5-21(23)9-13-26(28)32/h7-14,31-32H,3-6,15-19,30H2,1-2H3
InChIKeyRUFUWVMVDMPBKI-UHFFFAOYSA-N
XLogP4.73
TPSA85.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-methoxy-2-[[4-[2-(2-methoxyethylamino)ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 1-[3-amino-4-methoxy-2-[[4-[2-(2-methoxyethylamino)ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 67252121) is 1-[3-amino-4-methoxy-2-[[4-[2-(2-methoxyethylamino)ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 1-[3-amino-4-methoxy-2-[[4-[2-(2-methoxyethylamino)ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 1-[3-amino-4-methoxy-2-[[4-[2-(2-methoxyethylamino)ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is COCCNCCOc1ccc(Cc2c(-c3c(O)ccc4c3CCCC4)ccc(OC)c2N)cc1.
What is the InChIKey of 1-[3-amino-4-methoxy-2-[[4-[2-(2-methoxyethylamino)ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is RUFUWVMVDMPBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O4/c1-33-17-15-31-16-18-35-22-10-7-20(8-11-22)19-25-24(12-14-27(34-2)29(25)30)28-23-6-4-3-5-21(23)9-13-26(28)32/h7-14,31-32H,3-6,15-19,30H2,1-2H3.
What are the key properties of 1-[3-amino-4-methoxy-2-[[4-[2-(2-methoxyethylamino)ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
1-[3-amino-4-methoxy-2-[[4-[2-(2-methoxyethylamino)ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 476.62 g/mol, XLogP of 4.73, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-methoxy-2-[[4-[2-(2-methoxyethylamino)ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 67252121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).