(5-amino-2-bromophenyl)-(2,6-dimethoxyphenyl)methanone

C15H14BrNO3 — CID 116811602

IUPAC(5-amino-2-bromophenyl)-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)c1cc(N)ccc1Br
InChIInChI=1S/C15H14BrNO3/c1-19-12-4-3-5-13(20-2)14(12)15(18)10-8-9(17)6-7-11(10)16/h3-8H,17H2,1-2H3
InChIKeyXCWRWKVQKXXIDA-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.28
Rot. Bonds4

About (5-amino-2-bromophenyl)-(2,6-dimethoxyphenyl)methanone

(5-amino-2-bromophenyl)-(2,6-dimethoxyphenyl)methanone (PubChem CID 116811602) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is (5-amino-2-bromophenyl)-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-2-bromophenyl)-(2,6-dimethoxyphenyl)methanone
PubChem CID116811602
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name(5-amino-2-bromophenyl)-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)c1cc(N)ccc1Br
InChIInChI=1S/C15H14BrNO3/c1-19-12-4-3-5-13(20-2)14(12)15(18)10-8-9(17)6-7-11(10)16/h3-8H,17H2,1-2H3
InChIKeyXCWRWKVQKXXIDA-UHFFFAOYSA-N
XLogP3.28
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone
CID 43339938
(5-amino-2-bromophenyl)-(2,3-dimethylphenyl)methanone
CID 116602810
(4-bromo-3-chlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 115813439
(2,6-dimethoxyphenyl)-(2,4,5-trimethylphenyl)methanone
CID 112698836
2-amino-3-(2,6-dimethoxybenzoyl)benzoic acid
CID 67694082
(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 105079993
4-bromo-3-methoxyaniline;iron
CID 158491783
N-(3-benzoyl-4-bromophenyl)-2,6-dimethoxybenzamide
CID 3350285
(2-amino-6-methoxyphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400302
(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 114970477
(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301259
methyl 5-amino-2-(2-bromophenoxy)benzoate
CID 61305622

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-bromophenyl)-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of (5-amino-2-bromophenyl)-(2,6-dimethoxyphenyl)methanone (CID 116811602) is (5-amino-2-bromophenyl)-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for (5-amino-2-bromophenyl)-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for (5-amino-2-bromophenyl)-(2,6-dimethoxyphenyl)methanone is COc1cccc(OC)c1C(=O)c1cc(N)ccc1Br.
What is the InChIKey of (5-amino-2-bromophenyl)-(2,6-dimethoxyphenyl)methanone?
The InChIKey is XCWRWKVQKXXIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-19-12-4-3-5-13(20-2)14(12)15(18)10-8-9(17)6-7-11(10)16/h3-8H,17H2,1-2H3.
What are the key properties of (5-amino-2-bromophenyl)-(2,6-dimethoxyphenyl)methanone?
(5-amino-2-bromophenyl)-(2,6-dimethoxyphenyl)methanone has a molecular weight of 336.19 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-bromophenyl)-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 116811602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).