(3-amino-5-bromo-2-methylphenyl)-(4-methoxy-3-methylphenyl)methanone

C16H16BrNO2 — CID 107874154

IUPAC(3-amino-5-bromo-2-methylphenyl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Br)cc(N)c2C)cc1C
InChIInChI=1S/C16H16BrNO2/c1-9-6-11(4-5-15(9)20-3)16(19)13-7-12(17)8-14(18)10(13)2/h4-8H,18H2,1-3H3
InChIKeyPUVHZXVBJWFAGZ-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.89
Rot. Bonds3

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

(3-amino-5-bromo-2-methylphenyl)-(4-methoxy-3-methylphenyl)methanone (PubChem CID 107874154) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is (3-amino-5-bromo-2-methylphenyl)-(4-methoxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-bromo-2-methylphenyl)-(4-methoxy-3-methylphenyl)methanone
PubChem CID107874154
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name(3-amino-5-bromo-2-methylphenyl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Br)cc(N)c2C)cc1C
InChIInChI=1S/C16H16BrNO2/c1-9-6-11(4-5-15(9)20-3)16(19)13-7-12(17)8-14(18)10(13)2/h4-8H,18H2,1-3H3
InChIKeyPUVHZXVBJWFAGZ-UHFFFAOYSA-N
XLogP3.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.89
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

(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379600
(4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43805125
(2-amino-4-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 113417701
(3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107874132
(3-bromo-5-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 107949805
(5-amino-2-fluoro-3-methylphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 103298336
(3-amino-5-bromo-2-methylphenyl)-(4-bromo-2,5-dimethylphenyl)methanone
CID 107874173
(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone
CID 43161110
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone
CID 107874153
(4-hydroxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 70142361
(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone
CID 107959962
(2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 114368506

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-bromo-2-methylphenyl)-(4-methoxy-3-methylphenyl)methanone?
The IUPAC name of (3-amino-5-bromo-2-methylphenyl)-(4-methoxy-3-methylphenyl)methanone (CID 107874154) is (3-amino-5-bromo-2-methylphenyl)-(4-methoxy-3-methylphenyl)methanone.
What is the SMILES notation for (3-amino-5-bromo-2-methylphenyl)-(4-methoxy-3-methylphenyl)methanone?
The canonical SMILES for (3-amino-5-bromo-2-methylphenyl)-(4-methoxy-3-methylphenyl)methanone is COc1ccc(C(=O)c2cc(Br)cc(N)c2C)cc1C.
What is the InChIKey of (3-amino-5-bromo-2-methylphenyl)-(4-methoxy-3-methylphenyl)methanone?
The InChIKey is PUVHZXVBJWFAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-9-6-11(4-5-15(9)20-3)16(19)13-7-12(17)8-14(18)10(13)2/h4-8H,18H2,1-3H3.
What are the key properties of (3-amino-5-bromo-2-methylphenyl)-(4-methoxy-3-methylphenyl)methanone?
(3-amino-5-bromo-2-methylphenyl)-(4-methoxy-3-methylphenyl)methanone has a molecular weight of 334.21 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-bromo-2-methylphenyl)-(4-methoxy-3-methylphenyl)methanone is sourced from PubChem (CID 107874154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).