(2-amino-3,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone

C17H19NO3 — CID 115950891

IUPAC(2-amino-3,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone
SMILESCOc1cc(OC)c(N)c(C(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H19NO3/c1-10-5-6-12(7-11(10)2)17(19)14-8-13(20-3)9-15(21-4)16(14)18/h5-9H,18H2,1-4H3
InChIKeyUVMFTZPCPTZFMJ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.13
Rot. Bonds4

About (2-amino-3,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone

(2-amino-3,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone (PubChem CID 115950891) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2-amino-3,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-3,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone
PubChem CID115950891
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(2-amino-3,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone
SMILESCOc1cc(OC)c(N)c(C(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H19NO3/c1-10-5-6-12(7-11(10)2)17(19)14-8-13(20-3)9-15(21-4)16(14)18/h5-9H,18H2,1-4H3
InChIKeyUVMFTZPCPTZFMJ-UHFFFAOYSA-N
XLogP3.13
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768
(2-amino-3,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 115950911
(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone
CID 43161110
(2-amino-3,5-dimethoxyphenyl)-(5-chlorothiophen-2-yl)methanone
CID 112606193
(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone
CID 65439137
(3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone
CID 59022177
(4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone
CID 114971196
(2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337370
(2-amino-3,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 115950897
(3,4-dimethylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103435101
(3,4-dimethylphenyl)-(4-methoxy-3-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 162090190
2-amino-N-ethyl-3,5-dimethoxybenzamide
CID 112606069

Frequently Asked Questions

What is the IUPAC name of (2-amino-3,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone?
The IUPAC name of (2-amino-3,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone (CID 115950891) is (2-amino-3,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for (2-amino-3,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone?
The canonical SMILES for (2-amino-3,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone is COc1cc(OC)c(N)c(C(=O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of (2-amino-3,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone?
The InChIKey is UVMFTZPCPTZFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-10-5-6-12(7-11(10)2)17(19)14-8-13(20-3)9-15(21-4)16(14)18/h5-9H,18H2,1-4H3.
What are the key properties of (2-amino-3,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone?
(2-amino-3,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone has a molecular weight of 285.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 115950891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).