(3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone

C16H17NO2 — CID 106681672

IUPAC(3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
SMILESCOc1cc(C)cc(C)c1C(=O)c1cccc(N)c1
InChIInChI=1S/C16H17NO2/c1-10-7-11(2)15(14(8-10)19-3)16(18)12-5-4-6-13(17)9-12/h4-9H,17H2,1-3H3
InChIKeyXLVCFTHQFKTMFL-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.13
Rot. Bonds3

About (3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone

(3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone (PubChem CID 106681672) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
PubChem CID106681672
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
SMILESCOc1cc(C)cc(C)c1C(=O)c1cccc(N)c1
InChIInChI=1S/C16H17NO2/c1-10-7-11(2)15(14(8-10)19-3)16(18)12-5-4-6-13(17)9-12/h4-9H,17H2,1-3H3
InChIKeyXLVCFTHQFKTMFL-UHFFFAOYSA-N
XLogP3.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-4,6-dimethylphenyl)-[3-(methylamino)phenyl]methanone
CID 116917333
(3-aminophenyl)-(4-hydroxy-2,6-dimethylphenyl)methanone
CID 95423867
(3-aminophenyl)-(5-chloro-2-methoxy-4-methylphenyl)methanone
CID 82265129
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 106681983
(3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106679955
(2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanone
CID 106681878
(2,4,6-trimethylphenyl)methyl 3-aminobenzoate
CID 62548298
(3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 116548682
(3-aminophenyl)-(3,5-dimethyl-2-propoxyphenyl)methanone
CID 82267577
(5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681940
[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
CID 19019928
methyl 3-aminobenzoate;1,2-xylene
CID 174602460

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone?
The IUPAC name of (3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone (CID 106681672) is (3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone.
What is the SMILES notation for (3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone?
The canonical SMILES for (3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone is COc1cc(C)cc(C)c1C(=O)c1cccc(N)c1.
What is the InChIKey of (3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone?
The InChIKey is XLVCFTHQFKTMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-10-7-11(2)15(14(8-10)19-3)16(18)12-5-4-6-13(17)9-12/h4-9H,17H2,1-3H3.
What are the key properties of (3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone?
(3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone has a molecular weight of 255.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone is sourced from PubChem (CID 106681672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).