(2-aminophenyl)-(2,4,6-trimethylphenyl)methanone

C16H17NO — CID 13113635

IUPAC(2-aminophenyl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccccc2N)c(C)c1
InChIInChI=1S/C16H17NO/c1-10-8-11(2)15(12(3)9-10)16(18)13-6-4-5-7-14(13)17/h4-9H,17H2,1-3H3
InChIKeyYVFUGHRZUCKECZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.43
Rot. Bonds2

About (2-aminophenyl)-(2,4,6-trimethylphenyl)methanone

(2-aminophenyl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 13113635) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (2-aminophenyl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(2-aminophenyl)-(2,4,6-trimethylphenyl)methanone
PubChem CID13113635
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(2-aminophenyl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccccc2N)c(C)c1
InChIInChI=1S/C16H17NO/c1-10-8-11(2)15(12(3)9-10)16(18)13-6-4-5-7-14(13)17/h4-9H,17H2,1-3H3
InChIKeyYVFUGHRZUCKECZ-UHFFFAOYSA-N
XLogP3.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (2-aminophenyl)-(2,4,6-trimethylphenyl)methanone (CID 13113635) is (2-aminophenyl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (2-aminophenyl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (2-aminophenyl)-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2ccccc2N)c(C)c1.
What is the InChIKey of (2-aminophenyl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is YVFUGHRZUCKECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-10-8-11(2)15(12(3)9-10)16(18)13-6-4-5-7-14(13)17/h4-9H,17H2,1-3H3.
What are the key properties of (2-aminophenyl)-(2,4,6-trimethylphenyl)methanone?
(2-aminophenyl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 239.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 13113635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).