[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methanamine

C13H10BrCl2NO — CID 43622057

IUPAC[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methanamine
SMILESNCc1ccc(Br)cc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H10BrCl2NO/c14-9-2-1-8(7-17)13(3-9)18-12-5-10(15)4-11(16)6-12/h1-6H,7,17H2
InChIKeyLRSBCLMRUMZWOE-UHFFFAOYSA-N
MW347.04 g/mol
LogP5.01
Rot. Bonds3

About [4-bromo-2-(3,5-dichlorophenoxy)phenyl]methanamine

[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methanamine (PubChem CID 43622057) has the molecular formula C13H10BrCl2NO and a molecular weight of 347.04 g/mol. Its IUPAC name is [4-bromo-2-(3,5-dichlorophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methanamine
PubChem CID43622057
Molecular FormulaC13H10BrCl2NO
Molecular Weight347.04 g/mol
Exact Mass344.93
IUPAC Name[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methanamine
SMILESNCc1ccc(Br)cc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H10BrCl2NO/c14-9-2-1-8(7-17)13(3-9)18-12-5-10(15)4-11(16)6-12/h1-6H,7,17H2
InChIKeyLRSBCLMRUMZWOE-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

[2-(3,5-dichlorophenoxy)phenyl]methanamine
CID 43622066
[4-bromo-2-(4-ethylphenoxy)phenyl]methanamine
CID 43364972
(4-bromo-2-naphthalen-2-yloxyphenyl)methanamine
CID 43364990
[4-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 114900818
[4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine
CID 43365001
4-bromo-1-(chloromethyl)-2-(4-chlorophenoxy)benzene
CID 43174130
4-bromo-1-(chloromethyl)-2-(3-chlorophenoxy)benzene
CID 43365197
2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 63880236
(4-bromo-2-quinolin-3-yloxyphenyl)methanamine
CID 107386867
[2-[2-(aminomethyl)-5-bromophenoxy]phenyl]methanol
CID 63654318
[3-bromo-5-(5-bromo-2-fluorophenoxy)phenyl]methanamine
CID 102814762
5-bromo-2-(3,5-dichlorophenoxy)benzonitrile
CID 114891024

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(3,5-dichlorophenoxy)phenyl]methanamine?
The IUPAC name of [4-bromo-2-(3,5-dichlorophenoxy)phenyl]methanamine (CID 43622057) is [4-bromo-2-(3,5-dichlorophenoxy)phenyl]methanamine.
What is the SMILES notation for [4-bromo-2-(3,5-dichlorophenoxy)phenyl]methanamine?
The canonical SMILES for [4-bromo-2-(3,5-dichlorophenoxy)phenyl]methanamine is NCc1ccc(Br)cc1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of [4-bromo-2-(3,5-dichlorophenoxy)phenyl]methanamine?
The InChIKey is LRSBCLMRUMZWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO/c14-9-2-1-8(7-17)13(3-9)18-12-5-10(15)4-11(16)6-12/h1-6H,7,17H2.
What are the key properties of [4-bromo-2-(3,5-dichlorophenoxy)phenyl]methanamine?
[4-bromo-2-(3,5-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 [4-bromo-2-(3,5-dichlorophenoxy)phenyl]methanamine is sourced from PubChem (CID 43622057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).