[4-(aminomethyl)phenyl]-(5-bromo-2-methoxyphenyl)methanone

C15H14BrNO2 — CID 116917510

IUPAC[4-(aminomethyl)phenyl]-(5-bromo-2-methoxyphenyl)methanone
SMILESCOc1ccc(Br)cc1C(=O)c1ccc(CN)cc1
InChIInChI=1S/C15H14BrNO2/c1-19-14-7-6-12(16)8-13(14)15(18)11-4-2-10(9-17)3-5-11/h2-8H,9,17H2,1H3
InChIKeyFTSLQNDKINKVLT-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.15
Rot. Bonds4

About [4-(aminomethyl)phenyl]-(5-bromo-2-methoxyphenyl)methanone

[4-(aminomethyl)phenyl]-(5-bromo-2-methoxyphenyl)methanone (PubChem CID 116917510) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(5-bromo-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(5-bromo-2-methoxyphenyl)methanone
PubChem CID116917510
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name[4-(aminomethyl)phenyl]-(5-bromo-2-methoxyphenyl)methanone
SMILESCOc1ccc(Br)cc1C(=O)c1ccc(CN)cc1
InChIInChI=1S/C15H14BrNO2/c1-19-14-7-6-12(16)8-13(14)15(18)11-4-2-10(9-17)3-5-11/h2-8H,9,17H2,1H3
InChIKeyFTSLQNDKINKVLT-UHFFFAOYSA-N
XLogP3.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-methoxyphenyl)-(3-bromophenyl)methanone
CID 43161777
(5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone
CID 43339931
(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone
CID 43339938
(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 115368731
(2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 114368506
(4-bromo-2-methoxyphenyl)-(4-butylphenyl)methanone
CID 115368728
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
(5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 62919039
[4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine
CID 22688736
2-[2-(4-bromobenzoyl)-4,5-dimethoxyphenyl]acetic acid
CID 10833560
(5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone
CID 43339911
1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 116548317

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(5-bromo-2-methoxyphenyl)methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-(5-bromo-2-methoxyphenyl)methanone (CID 116917510) is [4-(aminomethyl)phenyl]-(5-bromo-2-methoxyphenyl)methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(5-bromo-2-methoxyphenyl)methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-(5-bromo-2-methoxyphenyl)methanone is COc1ccc(Br)cc1C(=O)c1ccc(CN)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(5-bromo-2-methoxyphenyl)methanone?
The InChIKey is FTSLQNDKINKVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-19-14-7-6-12(16)8-13(14)15(18)11-4-2-10(9-17)3-5-11/h2-8H,9,17H2,1H3.
What are the key properties of [4-(aminomethyl)phenyl]-(5-bromo-2-methoxyphenyl)methanone?
[4-(aminomethyl)phenyl]-(5-bromo-2-methoxyphenyl)methanone has a molecular weight of 320.19 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(5-bromo-2-methoxyphenyl)methanone is sourced from PubChem (CID 116917510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).