(2-amino-3-methoxyphenyl)-(4-cyclopropyloxyphenyl)methanone

C17H17NO3 — CID 107469288

IUPAC(2-amino-3-methoxyphenyl)-(4-cyclopropyloxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(OC3CC3)cc2)c1N
InChIInChI=1S/C17H17NO3/c1-20-15-4-2-3-14(16(15)18)17(19)11-5-7-12(8-6-11)21-13-9-10-13/h2-8,13H,9-10,18H2,1H3
InChIKeyUOESEJLDKUQCDX-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.05
Rot. Bonds5

About (2-amino-3-methoxyphenyl)-(4-cyclopropyloxyphenyl)methanone

(2-amino-3-methoxyphenyl)-(4-cyclopropyloxyphenyl)methanone (PubChem CID 107469288) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2-amino-3-methoxyphenyl)-(4-cyclopropyloxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-3-methoxyphenyl)-(4-cyclopropyloxyphenyl)methanone
PubChem CID107469288
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(2-amino-3-methoxyphenyl)-(4-cyclopropyloxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(OC3CC3)cc2)c1N
InChIInChI=1S/C17H17NO3/c1-20-15-4-2-3-14(16(15)18)17(19)11-5-7-12(8-6-11)21-13-9-10-13/h2-8,13H,9-10,18H2,1H3
InChIKeyUOESEJLDKUQCDX-UHFFFAOYSA-N
XLogP3.05
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.05
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-3-cyclopropyloxyphenyl)-phenylmethanone
CID 90086550
(2-amino-3-methoxyphenyl)-phenylmethanone
CID 18185399
(2-amino-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanone
CID 114520639
(2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone
CID 107469180
(4-cyclopropyloxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 114518942
(2-bromo-3-fluorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 115812909
methyl 2-amino-3-(4-methoxybenzoyl)benzoate
CID 18694348
(2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 107469285
(2-amino-4-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 114518849
ethane;methyl 2-(2-amino-3-methoxyphenyl)-2-oxoacetate
CID 145133891
3-amino-1-(2-cyclopropyloxy-3-methoxyphenyl)propan-1-one
CID 117342156
methyl 2-amino-3-cyclohexyloxybenzoate
CID 113333231

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methoxyphenyl)-(4-cyclopropyloxyphenyl)methanone?
The IUPAC name of (2-amino-3-methoxyphenyl)-(4-cyclopropyloxyphenyl)methanone (CID 107469288) is (2-amino-3-methoxyphenyl)-(4-cyclopropyloxyphenyl)methanone.
What is the SMILES notation for (2-amino-3-methoxyphenyl)-(4-cyclopropyloxyphenyl)methanone?
The canonical SMILES for (2-amino-3-methoxyphenyl)-(4-cyclopropyloxyphenyl)methanone is COc1cccc(C(=O)c2ccc(OC3CC3)cc2)c1N.
What is the InChIKey of (2-amino-3-methoxyphenyl)-(4-cyclopropyloxyphenyl)methanone?
The InChIKey is UOESEJLDKUQCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-15-4-2-3-14(16(15)18)17(19)11-5-7-12(8-6-11)21-13-9-10-13/h2-8,13H,9-10,18H2,1H3.
What are the key properties of (2-amino-3-methoxyphenyl)-(4-cyclopropyloxyphenyl)methanone?
(2-amino-3-methoxyphenyl)-(4-cyclopropyloxyphenyl)methanone has a molecular weight of 283.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methoxyphenyl)-(4-cyclopropyloxyphenyl)methanone is sourced from PubChem (CID 107469288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).