1-(2-amino-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-ol

C22H19NO — CID 91237493

IUPAC1-(2-amino-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-ol
SMILESCc1cc2ccccc2c(-c2c(O)c(C)cc3ccccc23)c1N
InChIInChI=1S/C22H19NO/c1-13-11-15-7-3-5-9-17(15)19(21(13)23)20-18-10-6-4-8-16(18)12-14(2)22(20)24/h3-12,24H,23H2,1-2H3
InChIKeyANIBTEIZMWQMNV-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.56
Rot. Bonds1

About 1-(2-amino-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-ol

1-(2-amino-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-ol (PubChem CID 91237493) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(2-amino-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-ol.

Molecular Properties

Compound Name1-(2-amino-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-ol
PubChem CID91237493
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name1-(2-amino-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-ol
SMILESCc1cc2ccccc2c(-c2c(O)c(C)cc3ccccc23)c1N
InChIInChI=1S/C22H19NO/c1-13-11-15-7-3-5-9-17(15)19(21(13)23)20-18-10-6-4-8-16(18)12-14(2)22(20)24/h3-12,24H,23H2,1-2H3
InChIKeyANIBTEIZMWQMNV-UHFFFAOYSA-N
XLogP5.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-ol?
The IUPAC name of 1-(2-amino-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-ol (CID 91237493) is 1-(2-amino-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-ol.
What is the SMILES notation for 1-(2-amino-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-ol?
The canonical SMILES for 1-(2-amino-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-ol is Cc1cc2ccccc2c(-c2c(O)c(C)cc3ccccc23)c1N.
What is the InChIKey of 1-(2-amino-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-ol?
The InChIKey is ANIBTEIZMWQMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-13-11-15-7-3-5-9-17(15)19(21(13)23)20-18-10-6-4-8-16(18)12-14(2)22(20)24/h3-12,24H,23H2,1-2H3.
What are the key properties of 1-(2-amino-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-ol?
1-(2-amino-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-ol has a molecular weight of 313.40 g/mol, XLogP of 5.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-ol is sourced from PubChem (CID 91237493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).