(3-amino-5-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone

C16H16BrNO2 — CID 83068594

IUPAC(3-amino-5-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1c(C)cc(C(=O)c2cc(N)cc(Br)c2)cc1C
InChIInChI=1S/C16H16BrNO2/c1-9-4-11(5-10(2)16(9)20-3)15(19)12-6-13(17)8-14(18)7-12/h4-8H,18H2,1-3H3
InChIKeyRTPABRUQFJCVAE-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.89
Rot. Bonds3

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

(3-amino-5-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone (PubChem CID 83068594) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is (3-amino-5-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
PubChem CID83068594
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name(3-amino-5-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1c(C)cc(C(=O)c2cc(N)cc(Br)c2)cc1C
InChIInChI=1S/C16H16BrNO2/c1-9-4-11(5-10(2)16(9)20-3)15(19)12-6-13(17)8-14(18)7-12/h4-8H,18H2,1-3H3
InChIKeyRTPABRUQFJCVAE-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

(4-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 2756951
(3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 2756950
(3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83068741
(5-bromo-2-methoxy-3,6-dimethylphenyl)-(3,5-dibromophenyl)methanone
CID 107979689
(4-ethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83057344
(4-methoxy-3,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 83043829
5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride
CID 175135355
(3-amino-5-bromophenyl)-(3,4-diethylphenyl)methanone
CID 115483328
(3-amino-5-bromophenyl)-(5-fluoro-2-methylphenyl)methanone
CID 116597045
2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetamide
CID 116924503
4-methoxy-3,5-dimethylbenzenecarbothioic S-acid
CID 116918890
2-amino-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 82401990

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The IUPAC name of (3-amino-5-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone (CID 83068594) is (3-amino-5-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone.
What is the SMILES notation for (3-amino-5-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The canonical SMILES for (3-amino-5-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone is COc1c(C)cc(C(=O)c2cc(N)cc(Br)c2)cc1C.
What is the InChIKey of (3-amino-5-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The InChIKey is RTPABRUQFJCVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-9-4-11(5-10(2)16(9)20-3)15(19)12-6-13(17)8-14(18)7-12/h4-8H,18H2,1-3H3.
What are the key properties of (3-amino-5-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
(3-amino-5-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)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-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 83068594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).