[3-bromo-4-(2,3-dichlorophenoxy)phenyl]methanamine

C13H10BrCl2NO — CID 82798223

IUPAC[3-bromo-4-(2,3-dichlorophenoxy)phenyl]methanamine
SMILESNCc1ccc(Oc2cccc(Cl)c2Cl)c(Br)c1
InChIInChI=1S/C13H10BrCl2NO/c14-9-6-8(7-17)4-5-11(9)18-12-3-1-2-10(15)13(12)16/h1-6H,7,17H2
InChIKeyDCSZPYIVHVDBPI-UHFFFAOYSA-N
MW347.04 g/mol
LogP5.01
Rot. Bonds3

About [3-bromo-4-(2,3-dichlorophenoxy)phenyl]methanamine

[3-bromo-4-(2,3-dichlorophenoxy)phenyl]methanamine (PubChem CID 82798223) has the molecular formula C13H10BrCl2NO and a molecular weight of 347.04 g/mol. Its IUPAC name is [3-bromo-4-(2,3-dichlorophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-(2,3-dichlorophenoxy)phenyl]methanamine
PubChem CID82798223
Molecular FormulaC13H10BrCl2NO
Molecular Weight347.04 g/mol
Exact Mass344.93
IUPAC Name[3-bromo-4-(2,3-dichlorophenoxy)phenyl]methanamine
SMILESNCc1ccc(Oc2cccc(Cl)c2Cl)c(Br)c1
InChIInChI=1S/C13H10BrCl2NO/c14-9-6-8(7-17)4-5-11(9)18-12-3-1-2-10(15)13(12)16/h1-6H,7,17H2
InChIKeyDCSZPYIVHVDBPI-UHFFFAOYSA-N
XLogP5.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.04
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-phenoxyphenyl)methanamine
CID 82797010
[3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine
CID 82784965
[3-bromo-4-(2-methylquinolin-8-yl)oxyphenyl]methanamine
CID 82785114
[4-(4-bromo-2-chlorophenoxy)-3-chlorophenyl]methanamine
CID 63458084
[3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine
CID 82797229
[3-bromo-4-(3-chloroprop-2-enoxy)phenyl]methanamine
CID 76985667
1-[3-bromo-4-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine
CID 63532866
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]methanamine
CID 82797816
2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine
CID 63815236
[3-bromo-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanamine
CID 82785360
[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]methanamine
CID 79516224

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(2,3-dichlorophenoxy)phenyl]methanamine?
The IUPAC name of [3-bromo-4-(2,3-dichlorophenoxy)phenyl]methanamine (CID 82798223) is [3-bromo-4-(2,3-dichlorophenoxy)phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-(2,3-dichlorophenoxy)phenyl]methanamine?
The canonical SMILES for [3-bromo-4-(2,3-dichlorophenoxy)phenyl]methanamine is NCc1ccc(Oc2cccc(Cl)c2Cl)c(Br)c1.
What is the InChIKey of [3-bromo-4-(2,3-dichlorophenoxy)phenyl]methanamine?
The InChIKey is DCSZPYIVHVDBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO/c14-9-6-8(7-17)4-5-11(9)18-12-3-1-2-10(15)13(12)16/h1-6H,7,17H2.
What are the key properties of [3-bromo-4-(2,3-dichlorophenoxy)phenyl]methanamine?
[3-bromo-4-(2,3-dichlorophenoxy)phenyl]methanamine has a molecular weight of 347.04 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(2,3-dichlorophenoxy)phenyl]methanamine is sourced from PubChem (CID 82798223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).