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

C30H38N2O2 — CID 67249103

IUPAC1-[2-amino-4-methoxy-3-[[4-[2-[methyl(propyl)amino]ethyl]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(C)CCc1ccc(Cc2c(OC)ccc(-c3c(O)ccc4c3CCCC4)c2N)cc1
InChIInChI=1S/C30H38N2O2/c1-4-18-32(2)19-17-21-9-11-22(12-10-21)20-26-28(34-3)16-14-25(30(26)31)29-24-8-6-5-7-23(24)13-15-27(29)33/h9-16,33H,4-8,17-20,31H2,1-3H3
InChIKeyRITABQXWNCKZNC-UHFFFAOYSA-N
MW458.65 g/mol
LogP6.00
Rot. Bonds9

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

1-[2-amino-4-methoxy-3-[[4-[2-[methyl(propyl)amino]ethyl]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 67249103) has the molecular formula C30H38N2O2 and a molecular weight of 458.65 g/mol. Its IUPAC name is 1-[2-amino-4-methoxy-3-[[4-[2-[methyl(propyl)amino]ethyl]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-[2-amino-4-methoxy-3-[[4-[2-[methyl(propyl)amino]ethyl]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID67249103
Molecular FormulaC30H38N2O2
Molecular Weight458.65 g/mol
Exact Mass458.29
IUPAC Name1-[2-amino-4-methoxy-3-[[4-[2-[methyl(propyl)amino]ethyl]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(C)CCc1ccc(Cc2c(OC)ccc(-c3c(O)ccc4c3CCCC4)c2N)cc1
InChIInChI=1S/C30H38N2O2/c1-4-18-32(2)19-17-21-9-11-22(12-10-21)20-26-28(34-3)16-14-25(30(26)31)29-24-8-6-5-7-23(24)13-15-27(29)33/h9-16,33H,4-8,17-20,31H2,1-3H3
InChIKeyRITABQXWNCKZNC-UHFFFAOYSA-N
XLogP6.00
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.65
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-amino-4-methoxy-3-[[4-[2-[methyl(propyl)amino]ethyl]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 1-[2-amino-4-methoxy-3-[[4-[2-[methyl(propyl)amino]ethyl]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 67249103) is 1-[2-amino-4-methoxy-3-[[4-[2-[methyl(propyl)amino]ethyl]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 1-[2-amino-4-methoxy-3-[[4-[2-[methyl(propyl)amino]ethyl]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 1-[2-amino-4-methoxy-3-[[4-[2-[methyl(propyl)amino]ethyl]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is CCCN(C)CCc1ccc(Cc2c(OC)ccc(-c3c(O)ccc4c3CCCC4)c2N)cc1.
What is the InChIKey of 1-[2-amino-4-methoxy-3-[[4-[2-[methyl(propyl)amino]ethyl]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is RITABQXWNCKZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O2/c1-4-18-32(2)19-17-21-9-11-22(12-10-21)20-26-28(34-3)16-14-25(30(26)31)29-24-8-6-5-7-23(24)13-15-27(29)33/h9-16,33H,4-8,17-20,31H2,1-3H3.
What are the key properties of 1-[2-amino-4-methoxy-3-[[4-[2-[methyl(propyl)amino]ethyl]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
1-[2-amino-4-methoxy-3-[[4-[2-[methyl(propyl)amino]ethyl]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 458.65 g/mol, XLogP of 6.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-methoxy-3-[[4-[2-[methyl(propyl)amino]ethyl]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 67249103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).