4-(butylamino)-6,7-dimethoxy-3-methylnaphthalen-2-ol

C17H23NO3 — CID 5347116

IUPAC4-(butylamino)-6,7-dimethoxy-3-methylnaphthalen-2-ol
SMILESCCCCNc1c(C)c(O)cc2cc(OC)c(OC)cc12
InChIInChI=1S/C17H23NO3/c1-5-6-7-18-17-11(2)14(19)8-12-9-15(20-3)16(21-4)10-13(12)17/h8-10,18-19H,5-7H2,1-4H3
InChIKeyFTUPIQHZRCWYQC-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.08
Rot. Bonds6

About 4-(butylamino)-6,7-dimethoxy-3-methylnaphthalen-2-ol

4-(butylamino)-6,7-dimethoxy-3-methylnaphthalen-2-ol (PubChem CID 5347116) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-(butylamino)-6,7-dimethoxy-3-methylnaphthalen-2-ol.

Molecular Properties

Compound Name4-(butylamino)-6,7-dimethoxy-3-methylnaphthalen-2-ol
PubChem CID5347116
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name4-(butylamino)-6,7-dimethoxy-3-methylnaphthalen-2-ol
SMILESCCCCNc1c(C)c(O)cc2cc(OC)c(OC)cc12
InChIInChI=1S/C17H23NO3/c1-5-6-7-18-17-11(2)14(19)8-12-9-15(20-3)16(21-4)10-13(12)17/h8-10,18-19H,5-7H2,1-4H3
InChIKeyFTUPIQHZRCWYQC-UHFFFAOYSA-N
XLogP4.08
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)-6,7-dimethoxy-3-methylnaphthalen-2-ol?
The IUPAC name of 4-(butylamino)-6,7-dimethoxy-3-methylnaphthalen-2-ol (CID 5347116) is 4-(butylamino)-6,7-dimethoxy-3-methylnaphthalen-2-ol.
What is the SMILES notation for 4-(butylamino)-6,7-dimethoxy-3-methylnaphthalen-2-ol?
The canonical SMILES for 4-(butylamino)-6,7-dimethoxy-3-methylnaphthalen-2-ol is CCCCNc1c(C)c(O)cc2cc(OC)c(OC)cc12.
What is the InChIKey of 4-(butylamino)-6,7-dimethoxy-3-methylnaphthalen-2-ol?
The InChIKey is FTUPIQHZRCWYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-5-6-7-18-17-11(2)14(19)8-12-9-15(20-3)16(21-4)10-13(12)17/h8-10,18-19H,5-7H2,1-4H3.
What are the key properties of 4-(butylamino)-6,7-dimethoxy-3-methylnaphthalen-2-ol?
4-(butylamino)-6,7-dimethoxy-3-methylnaphthalen-2-ol has a molecular weight of 289.38 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)-6,7-dimethoxy-3-methylnaphthalen-2-ol is sourced from PubChem (CID 5347116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).