(3-amino-2-methylphenyl)-(2-methoxy-4,5-dimethylphenyl)methanone

C17H19NO2 — CID 82092906

IUPAC(3-amino-2-methylphenyl)-(2-methoxy-4,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C)cc1C(=O)c1cccc(N)c1C
InChIInChI=1S/C17H19NO2/c1-10-8-14(16(20-4)9-11(10)2)17(19)13-6-5-7-15(18)12(13)3/h5-9H,18H2,1-4H3
InChIKeyUSKZYRVYVRUHLP-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.43
Rot. Bonds3

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

(3-amino-2-methylphenyl)-(2-methoxy-4,5-dimethylphenyl)methanone (PubChem CID 82092906) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (3-amino-2-methylphenyl)-(2-methoxy-4,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-2-methylphenyl)-(2-methoxy-4,5-dimethylphenyl)methanone
PubChem CID82092906
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(3-amino-2-methylphenyl)-(2-methoxy-4,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C)cc1C(=O)c1cccc(N)c1C
InChIInChI=1S/C17H19NO2/c1-10-8-14(16(20-4)9-11(10)2)17(19)13-6-5-7-15(18)12(13)3/h5-9H,18H2,1-4H3
InChIKeyUSKZYRVYVRUHLP-UHFFFAOYSA-N
XLogP3.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-2-methylphenyl)-(2-methoxyphenyl)methanone
CID 82044477
(3-amino-2-methylphenyl)-(4-amino-2-methylphenyl)methanone
CID 118105017
bis(3-methoxy-2-methylphenyl)methanone
CID 139698462
(3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 112580781
2-methoxyethyl 3-amino-2-methylbenzoate
CID 19804739
(5-amino-2-methoxyphenyl)-(2-methylphenyl)methanone
CID 82084658
(2-fluoro-3-methoxyphenyl)methyl 3-amino-2-methylbenzoate
CID 104794373
1-(3-amino-2-methylphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116604463
1-(3-amino-2-methylphenyl)-2-methoxyethanone
CID 116604310
(3-aminophenyl)-(5-chloro-2-methoxy-4-methylphenyl)methanone
CID 82265129
(3-amino-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 112580769
(4,5-dimethoxy-2-methylphenyl)-(2-iodophenyl)methanone
CID 43626525

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-methylphenyl)-(2-methoxy-4,5-dimethylphenyl)methanone?
The IUPAC name of (3-amino-2-methylphenyl)-(2-methoxy-4,5-dimethylphenyl)methanone (CID 82092906) is (3-amino-2-methylphenyl)-(2-methoxy-4,5-dimethylphenyl)methanone.
What is the SMILES notation for (3-amino-2-methylphenyl)-(2-methoxy-4,5-dimethylphenyl)methanone?
The canonical SMILES for (3-amino-2-methylphenyl)-(2-methoxy-4,5-dimethylphenyl)methanone is COc1cc(C)c(C)cc1C(=O)c1cccc(N)c1C.
What is the InChIKey of (3-amino-2-methylphenyl)-(2-methoxy-4,5-dimethylphenyl)methanone?
The InChIKey is USKZYRVYVRUHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-10-8-14(16(20-4)9-11(10)2)17(19)13-6-5-7-15(18)12(13)3/h5-9H,18H2,1-4H3.
What are the key properties of (3-amino-2-methylphenyl)-(2-methoxy-4,5-dimethylphenyl)methanone?
(3-amino-2-methylphenyl)-(2-methoxy-4,5-dimethylphenyl)methanone has a molecular weight of 269.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-methylphenyl)-(2-methoxy-4,5-dimethylphenyl)methanone is sourced from PubChem (CID 82092906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).