1-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-bromonaphthalen-2-ol

C19H18BrNO2 — CID 129144680

IUPAC1-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-bromonaphthalen-2-ol
SMILESCOc1c(C)cc(N)c(-c2c(O)ccc3cc(Br)ccc23)c1C
InChIInChI=1S/C19H18BrNO2/c1-10-8-15(21)17(11(2)19(10)23-3)18-14-6-5-13(20)9-12(14)4-7-16(18)22/h4-9,22H,21H2,1-3H3
InChIKeyRYDXVHPJEPFZMF-UHFFFAOYSA-N
MW372.26 g/mol
LogP5.18
Rot. Bonds2

About 1-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-bromonaphthalen-2-ol

1-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-bromonaphthalen-2-ol (PubChem CID 129144680) has the molecular formula C19H18BrNO2 and a molecular weight of 372.26 g/mol. Its IUPAC name is 1-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-bromonaphthalen-2-ol.

Molecular Properties

Compound Name1-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-bromonaphthalen-2-ol
PubChem CID129144680
Molecular FormulaC19H18BrNO2
Molecular Weight372.26 g/mol
Exact Mass371.05
IUPAC Name1-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-bromonaphthalen-2-ol
SMILESCOc1c(C)cc(N)c(-c2c(O)ccc3cc(Br)ccc23)c1C
InChIInChI=1S/C19H18BrNO2/c1-10-8-15(21)17(11(2)19(10)23-3)18-14-6-5-13(20)9-12(14)4-7-16(18)22/h4-9,22H,21H2,1-3H3
InChIKeyRYDXVHPJEPFZMF-UHFFFAOYSA-N
XLogP5.18
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.26
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-bromonaphthalen-2-ol?
The IUPAC name of 1-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-bromonaphthalen-2-ol (CID 129144680) is 1-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-bromonaphthalen-2-ol.
What is the SMILES notation for 1-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-bromonaphthalen-2-ol?
The canonical SMILES for 1-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-bromonaphthalen-2-ol is COc1c(C)cc(N)c(-c2c(O)ccc3cc(Br)ccc23)c1C.
What is the InChIKey of 1-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-bromonaphthalen-2-ol?
The InChIKey is RYDXVHPJEPFZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO2/c1-10-8-15(21)17(11(2)19(10)23-3)18-14-6-5-13(20)9-12(14)4-7-16(18)22/h4-9,22H,21H2,1-3H3.
What are the key properties of 1-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-bromonaphthalen-2-ol?
1-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-bromonaphthalen-2-ol has a molecular weight of 372.26 g/mol, XLogP of 5.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-bromonaphthalen-2-ol is sourced from PubChem (CID 129144680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).