[3-bromo-5-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine

C15H15BrClNO — CID 102814623

IUPAC[3-bromo-5-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine
SMILESCc1cc(Oc2cc(Br)cc(CN)c2)cc(C)c1Cl
InChIInChI=1S/C15H15BrClNO/c1-9-3-13(4-10(2)15(9)17)19-14-6-11(8-18)5-12(16)7-14/h3-7H,8,18H2,1-2H3
InChIKeyQDZDSPCXHYUPFV-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.97
Rot. Bonds3

About [3-bromo-5-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine

[3-bromo-5-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine (PubChem CID 102814623) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is [3-bromo-5-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-5-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine
PubChem CID102814623
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name[3-bromo-5-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine
SMILESCc1cc(Oc2cc(Br)cc(CN)c2)cc(C)c1Cl
InChIInChI=1S/C15H15BrClNO/c1-9-3-13(4-10(2)15(9)17)19-14-6-11(8-18)5-12(16)7-14/h3-7H,8,18H2,1-2H3
InChIKeyQDZDSPCXHYUPFV-UHFFFAOYSA-N
XLogP4.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine
CID 20993580
[3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine
CID 102814717
(3-bromo-5-methoxyphenyl)methanamine
CID 53414441
[3-bromo-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanamine
CID 102814582
[3-bromo-5-(2-ethoxyphenoxy)phenyl]methanamine
CID 102814466
[3-bromo-5-(5-bromo-2-fluorophenoxy)phenyl]methanamine
CID 102814762
[3-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]phenyl]methanamine
CID 22683215
[3-bromo-5-(4-methylpentoxy)phenyl]methanamine
CID 102814559
[3-bromo-5-(2-propan-2-yloxyethoxy)phenyl]methanamine
CID 102814524
2-[4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluorophenyl]ethanamine
CID 63802813
1-[3-(aminomethyl)-5-bromophenoxy]-N,N,2-trimethylpropan-2-amine
CID 102814709
[3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
CID 105407437

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine?
The IUPAC name of [3-bromo-5-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine (CID 102814623) is [3-bromo-5-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine.
What is the SMILES notation for [3-bromo-5-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine?
The canonical SMILES for [3-bromo-5-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine is Cc1cc(Oc2cc(Br)cc(CN)c2)cc(C)c1Cl.
What is the InChIKey of [3-bromo-5-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine?
The InChIKey is QDZDSPCXHYUPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-9-3-13(4-10(2)15(9)17)19-14-6-11(8-18)5-12(16)7-14/h3-7H,8,18H2,1-2H3.
What are the key properties of [3-bromo-5-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine?
[3-bromo-5-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine has a molecular weight of 340.65 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine is sourced from PubChem (CID 102814623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).