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

C30H38N2O3 — CID 67252478

IUPAC1-[3-amino-4-methoxy-2-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(C)CCOc1ccc(Cc2c(-c3c(O)ccc4c3CCCC4)ccc(OC)c2N)cc1
InChIInChI=1S/C30H38N2O3/c1-4-17-32(2)18-19-35-23-12-9-21(10-13-23)20-26-25(14-16-28(34-3)30(26)31)29-24-8-6-5-7-22(24)11-15-27(29)33/h9-16,33H,4-8,17-20,31H2,1-3H3
InChIKeyJLOUTCTVSKRVSJ-UHFFFAOYSA-N
MW474.65 g/mol
LogP5.84
Rot. Bonds10

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

1-[3-amino-4-methoxy-2-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 67252478) has the molecular formula C30H38N2O3 and a molecular weight of 474.65 g/mol. Its IUPAC name is 1-[3-amino-4-methoxy-2-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-[3-amino-4-methoxy-2-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID67252478
Molecular FormulaC30H38N2O3
Molecular Weight474.65 g/mol
Exact Mass474.29
IUPAC Name1-[3-amino-4-methoxy-2-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(C)CCOc1ccc(Cc2c(-c3c(O)ccc4c3CCCC4)ccc(OC)c2N)cc1
InChIInChI=1S/C30H38N2O3/c1-4-17-32(2)18-19-35-23-12-9-21(10-13-23)20-26-25(14-16-28(34-3)30(26)31)29-24-8-6-5-7-22(24)11-15-27(29)33/h9-16,33H,4-8,17-20,31H2,1-3H3
InChIKeyJLOUTCTVSKRVSJ-UHFFFAOYSA-N
XLogP5.84
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[methyl(propyl)amino]ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 1-[3-amino-4-methoxy-2-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 67252478) is 1-[3-amino-4-methoxy-2-[[4-[2-[methyl(propyl)amino]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-[methyl(propyl)amino]ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 1-[3-amino-4-methoxy-2-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is CCCN(C)CCOc1ccc(Cc2c(-c3c(O)ccc4c3CCCC4)ccc(OC)c2N)cc1.
What is the InChIKey of 1-[3-amino-4-methoxy-2-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is JLOUTCTVSKRVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O3/c1-4-17-32(2)18-19-35-23-12-9-21(10-13-23)20-26-25(14-16-28(34-3)30(26)31)29-24-8-6-5-7-22(24)11-15-27(29)33/h9-16,33H,4-8,17-20,31H2,1-3H3.
What are the key properties of 1-[3-amino-4-methoxy-2-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
1-[3-amino-4-methoxy-2-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 474.65 g/mol, XLogP of 5.84, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-methoxy-2-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 67252478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).