5-[(3-methoxy-2-methylpropyl)amino]naphthalen-1-ol

C15H19NO2 — CID 116501113

IUPAC5-[(3-methoxy-2-methylpropyl)amino]naphthalen-1-ol
SMILESCOCC(C)CNc1cccc2c(O)cccc12
InChIInChI=1S/C15H19NO2/c1-11(10-18-2)9-16-14-7-3-6-13-12(14)5-4-8-15(13)17/h3-8,11,16-17H,9-10H2,1-2H3
InChIKeyYHXQFSMUCNSRGJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.24
Rot. Bonds5

About 5-[(3-methoxy-2-methylpropyl)amino]naphthalen-1-ol

5-[(3-methoxy-2-methylpropyl)amino]naphthalen-1-ol (PubChem CID 116501113) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-[(3-methoxy-2-methylpropyl)amino]naphthalen-1-ol.

Molecular Properties

Compound Name5-[(3-methoxy-2-methylpropyl)amino]naphthalen-1-ol
PubChem CID116501113
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name5-[(3-methoxy-2-methylpropyl)amino]naphthalen-1-ol
SMILESCOCC(C)CNc1cccc2c(O)cccc12
InChIInChI=1S/C15H19NO2/c1-11(10-18-2)9-16-14-7-3-6-13-12(14)5-4-8-15(13)17/h3-8,11,16-17H,9-10H2,1-2H3
InChIKeyYHXQFSMUCNSRGJ-UHFFFAOYSA-N
XLogP3.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxy-2-methylpropyl)amino]naphthalen-1-ol?
The IUPAC name of 5-[(3-methoxy-2-methylpropyl)amino]naphthalen-1-ol (CID 116501113) is 5-[(3-methoxy-2-methylpropyl)amino]naphthalen-1-ol.
What is the SMILES notation for 5-[(3-methoxy-2-methylpropyl)amino]naphthalen-1-ol?
The canonical SMILES for 5-[(3-methoxy-2-methylpropyl)amino]naphthalen-1-ol is COCC(C)CNc1cccc2c(O)cccc12.
What is the InChIKey of 5-[(3-methoxy-2-methylpropyl)amino]naphthalen-1-ol?
The InChIKey is YHXQFSMUCNSRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11(10-18-2)9-16-14-7-3-6-13-12(14)5-4-8-15(13)17/h3-8,11,16-17H,9-10H2,1-2H3.
What are the key properties of 5-[(3-methoxy-2-methylpropyl)amino]naphthalen-1-ol?
5-[(3-methoxy-2-methylpropyl)amino]naphthalen-1-ol has a molecular weight of 245.32 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxy-2-methylpropyl)amino]naphthalen-1-ol is sourced from PubChem (CID 116501113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).