(2-amino-6-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanone

C17H19NO3 — CID 81397099

IUPAC(2-amino-6-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanone
SMILESCCOc1ccc(C)cc1C(=O)c1c(N)cccc1OC
InChIInChI=1S/C17H19NO3/c1-4-21-14-9-8-11(2)10-12(14)17(19)16-13(18)6-5-7-15(16)20-3/h5-10H,4,18H2,1-3H3
InChIKeyRGJXFKDRGZUWQY-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.22
Rot. Bonds5

About (2-amino-6-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanone

(2-amino-6-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanone (PubChem CID 81397099) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2-amino-6-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-6-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanone
PubChem CID81397099
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(2-amino-6-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanone
SMILESCCOc1ccc(C)cc1C(=O)c1c(N)cccc1OC
InChIInChI=1S/C17H19NO3/c1-4-21-14-9-8-11(2)10-12(14)17(19)16-13(18)6-5-7-15(16)20-3/h5-10H,4,18H2,1-3H3
InChIKeyRGJXFKDRGZUWQY-UHFFFAOYSA-N
XLogP3.22
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.22
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

(2-amino-6-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 81413910
(2,5-dimethylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 63496404
(3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 112580781
(2-amino-6-ethoxyphenyl)-(2,4-difluorophenyl)methanone
CID 81413663
(2-amino-6-ethoxyphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 81397447
(3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 107096172
(2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 81110926
(Z)-3-(2-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83955918
(5-chloro-2-methoxyphenyl)-(2-ethoxyphenyl)methanone
CID 79020316
2-amino-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide
CID 107624071
(2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone
CID 143779063
(2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone
CID 115000096

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanone?
The IUPAC name of (2-amino-6-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanone (CID 81397099) is (2-amino-6-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanone.
What is the SMILES notation for (2-amino-6-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanone?
The canonical SMILES for (2-amino-6-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanone is CCOc1ccc(C)cc1C(=O)c1c(N)cccc1OC.
What is the InChIKey of (2-amino-6-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanone?
The InChIKey is RGJXFKDRGZUWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-4-21-14-9-8-11(2)10-12(14)17(19)16-13(18)6-5-7-15(16)20-3/h5-10H,4,18H2,1-3H3.
What are the key properties of (2-amino-6-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanone?
(2-amino-6-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanone has a molecular weight of 285.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanone is sourced from PubChem (CID 81397099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).