2-(2-amino-4-methylphenoxy)-1-(3,4-dimethoxyphenyl)pentan-1-one

C20H25NO4 — CID 46307864

IUPAC2-(2-amino-4-methylphenoxy)-1-(3,4-dimethoxyphenyl)pentan-1-one
SMILESCCCC(Oc1ccc(C)cc1N)C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H25NO4/c1-5-6-18(25-16-9-7-13(2)11-15(16)21)20(22)14-8-10-17(23-3)19(12-14)24-4/h7-12,18H,5-6,21H2,1-4H3
InChIKeyQFZYGSANJLEGPD-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.02
Rot. Bonds8

About 2-(2-amino-4-methylphenoxy)-1-(3,4-dimethoxyphenyl)pentan-1-one

2-(2-amino-4-methylphenoxy)-1-(3,4-dimethoxyphenyl)pentan-1-one (PubChem CID 46307864) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-(2-amino-4-methylphenoxy)-1-(3,4-dimethoxyphenyl)pentan-1-one.

Molecular Properties

Compound Name2-(2-amino-4-methylphenoxy)-1-(3,4-dimethoxyphenyl)pentan-1-one
PubChem CID46307864
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name2-(2-amino-4-methylphenoxy)-1-(3,4-dimethoxyphenyl)pentan-1-one
SMILESCCCC(Oc1ccc(C)cc1N)C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H25NO4/c1-5-6-18(25-16-9-7-13(2)11-15(16)21)20(22)14-8-10-17(23-3)19(12-14)24-4/h7-12,18H,5-6,21H2,1-4H3
InChIKeyQFZYGSANJLEGPD-UHFFFAOYSA-N
XLogP4.02
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.02
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

2-(2-aminophenoxy)-1-(4-methylphenyl)pentan-1-one
CID 46307329
2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)butan-1-one
CID 46307411
2-(2-amino-4-methylphenoxy)-1-(4-fluorophenyl)butan-1-one
CID 46307899
2-(2-aminophenoxy)-1-(4-methoxyphenyl)pentan-1-one
CID 46307454
2-(2-amino-4-methylphenoxy)-1-(4-ethylphenyl)butan-1-one
CID 46307783
ethyl 2-(3,4-dimethoxybenzoyl)pentanoate
CID 83038880
2-(2-amino-4-methylphenoxy)-1-naphthalen-2-ylbutan-1-one
CID 46307916
2-(4-carbamothioyl-2-methoxyphenoxy)pentanoic acid
CID 83041877
2-(aminomethyl)-1-(3,4-dimethoxyphenyl)pentan-1-one
CID 116574532
2-(2-aminophenoxy)-1-(4-phenylphenyl)pentan-1-one
CID 46307352
2-bromo-1-(3,4-dimethoxyphenyl)pentan-1-one
CID 11514957
ethyl 2-(2-amino-5-methylphenoxy)pentanoate
CID 83034439

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylphenoxy)-1-(3,4-dimethoxyphenyl)pentan-1-one?
The IUPAC name of 2-(2-amino-4-methylphenoxy)-1-(3,4-dimethoxyphenyl)pentan-1-one (CID 46307864) is 2-(2-amino-4-methylphenoxy)-1-(3,4-dimethoxyphenyl)pentan-1-one.
What is the SMILES notation for 2-(2-amino-4-methylphenoxy)-1-(3,4-dimethoxyphenyl)pentan-1-one?
The canonical SMILES for 2-(2-amino-4-methylphenoxy)-1-(3,4-dimethoxyphenyl)pentan-1-one is CCCC(Oc1ccc(C)cc1N)C(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(2-amino-4-methylphenoxy)-1-(3,4-dimethoxyphenyl)pentan-1-one?
The InChIKey is QFZYGSANJLEGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-5-6-18(25-16-9-7-13(2)11-15(16)21)20(22)14-8-10-17(23-3)19(12-14)24-4/h7-12,18H,5-6,21H2,1-4H3.
What are the key properties of 2-(2-amino-4-methylphenoxy)-1-(3,4-dimethoxyphenyl)pentan-1-one?
2-(2-amino-4-methylphenoxy)-1-(3,4-dimethoxyphenyl)pentan-1-one has a molecular weight of 343.42 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylphenoxy)-1-(3,4-dimethoxyphenyl)pentan-1-one is sourced from PubChem (CID 46307864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).