(3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone

C17H19NO2 — CID 83068741

IUPAC(3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1c(C)cc(C(=O)c2ccc(C)c(N)c2)cc1C
InChIInChI=1S/C17H19NO2/c1-10-5-6-13(9-15(10)18)16(19)14-7-11(2)17(20-4)12(3)8-14/h5-9H,18H2,1-4H3
InChIKeySQYJANTVXYMYLX-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.43
Rot. Bonds3

About (3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone

(3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone (PubChem CID 83068741) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
PubChem CID83068741
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1c(C)cc(C(=O)c2ccc(C)c(N)c2)cc1C
InChIInChI=1S/C17H19NO2/c1-10-5-6-13(9-15(10)18)16(19)14-7-11(2)17(20-4)12(3)8-14/h5-9H,18H2,1-4H3
InChIKeySQYJANTVXYMYLX-UHFFFAOYSA-N
XLogP3.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.43
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

(3-amino-4-methylphenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 116551045
(4-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 2756951
(3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044007
(4-ethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83057344
(3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 2756950
(3-amino-5-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83068594
methanamine;methyl 3-amino-4-methylbenzoate
CID 164531340
ethane;methyl 3-amino-4-methylbenzoate
CID 142981906
(2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044009
3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide
CID 28723700
(4-methoxy-3,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 83043829
(3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone
CID 116550966

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The IUPAC name of (3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone (CID 83068741) is (3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone.
What is the SMILES notation for (3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The canonical SMILES for (3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone is COc1c(C)cc(C(=O)c2ccc(C)c(N)c2)cc1C.
What is the InChIKey of (3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The InChIKey is SQYJANTVXYMYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-10-5-6-13(9-15(10)18)16(19)14-7-11(2)17(20-4)12(3)8-14/h5-9H,18H2,1-4H3.
What are the key properties of (3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
(3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone has a molecular weight of 269.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 83068741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).