(3-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone

C16H17NO4 — CID 11748175

IUPAC(3-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc(N)c2)cc(OC)c1OC
InChIInChI=1S/C16H17NO4/c1-19-13-8-11(9-14(20-2)16(13)21-3)15(18)10-5-4-6-12(17)7-10/h4-9H,17H2,1-3H3
InChIKeyKNUNJKODSUTCGZ-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.53
Rot. Bonds5

About (3-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone

(3-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 11748175) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is (3-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID11748175
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name(3-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc(N)c2)cc(OC)c1OC
InChIInChI=1S/C16H17NO4/c1-19-13-8-11(9-14(20-2)16(13)21-3)15(18)10-5-4-6-12(17)7-10/h4-9H,17H2,1-3H3
InChIKeyKNUNJKODSUTCGZ-UHFFFAOYSA-N
XLogP2.53
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-Trimethoxybenzanilide
CID 305103
N-(3-acetylphenyl)-3,4-dimethoxybenzamide
CID 2171051
p-Benzotoluidide, 3,4,5-trimethoxy-
CID 12924
3,4,5-Trimethoxy-N-(4-methoxyphenyl)benzamide
CID 364715
4-(3,4,5-Trimethoxyphenethyl)aniline
CID 364705
(E)-3-(3-amino-4-methoxyphenyl)-1-(7-methoxy-1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-one
CID 87978469
N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide
CID 692750
N-(3-ethylphenyl)-3,4,5-trimethoxybenzamide
CID 897201
3-(4-Ethoxyanilino)-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one
CID 2252951
(2-Amino-5-chlorophenyl)(3,4,5-trimethoxyphenyl)methanone
CID 868031
1-(3-Nitrophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 5346492
(E)-3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 5730821

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone (CID 11748175) is (3-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cccc(N)c2)cc(OC)c1OC.
What is the InChIKey of (3-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is KNUNJKODSUTCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-19-13-8-11(9-14(20-2)16(13)21-3)15(18)10-5-4-6-12(17)7-10/h4-9H,17H2,1-3H3.
What are the key properties of (3-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone?
(3-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 287.31 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 11748175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).