2-methyl-10-propan-2-ylphenoxazin-1-amine

C16H18N2O — CID 129014474

IUPAC2-methyl-10-propan-2-ylphenoxazin-1-amine
SMILESCc1ccc2c(c1N)N(C(C)C)c1ccccc1O2
InChIInChI=1S/C16H18N2O/c1-10(2)18-12-6-4-5-7-13(12)19-14-9-8-11(3)15(17)16(14)18/h4-10H,17H2,1-3H3
InChIKeyHRYQFZNMJRLYSZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.23
Rot. Bonds1

About 2-methyl-10-propan-2-ylphenoxazin-1-amine

2-methyl-10-propan-2-ylphenoxazin-1-amine (PubChem CID 129014474) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-methyl-10-propan-2-ylphenoxazin-1-amine.

Molecular Properties

Compound Name2-methyl-10-propan-2-ylphenoxazin-1-amine
PubChem CID129014474
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-methyl-10-propan-2-ylphenoxazin-1-amine
SMILESCc1ccc2c(c1N)N(C(C)C)c1ccccc1O2
InChIInChI=1S/C16H18N2O/c1-10(2)18-12-6-4-5-7-13(12)19-14-9-8-11(3)15(17)16(14)18/h4-10H,17H2,1-3H3
InChIKeyHRYQFZNMJRLYSZ-UHFFFAOYSA-N
XLogP4.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.23
H-Bond Donors ≤ 51
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 2-methyl-10-propan-2-ylphenoxazin-1-amine?
The IUPAC name of 2-methyl-10-propan-2-ylphenoxazin-1-amine (CID 129014474) is 2-methyl-10-propan-2-ylphenoxazin-1-amine.
What is the SMILES notation for 2-methyl-10-propan-2-ylphenoxazin-1-amine?
The canonical SMILES for 2-methyl-10-propan-2-ylphenoxazin-1-amine is Cc1ccc2c(c1N)N(C(C)C)c1ccccc1O2.
What is the InChIKey of 2-methyl-10-propan-2-ylphenoxazin-1-amine?
The InChIKey is HRYQFZNMJRLYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-10(2)18-12-6-4-5-7-13(12)19-14-9-8-11(3)15(17)16(14)18/h4-10H,17H2,1-3H3.
What are the key properties of 2-methyl-10-propan-2-ylphenoxazin-1-amine?
2-methyl-10-propan-2-ylphenoxazin-1-amine has a molecular weight of 254.33 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-10-propan-2-ylphenoxazin-1-amine is sourced from PubChem (CID 129014474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).