[4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine

C15H16BrNO2 — CID 104706389

IUPAC[4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine
SMILESCOc1ccc(Oc2ccc(CN)c(C)c2)c(Br)c1
InChIInChI=1S/C15H16BrNO2/c1-10-7-13(4-3-11(10)9-17)19-15-6-5-12(18-2)8-14(15)16/h3-8H,9,17H2,1-2H3
InChIKeyPDIZOIGUVRJODX-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.02
Rot. Bonds4

About [4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine

[4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine (PubChem CID 104706389) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is [4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine
PubChem CID104706389
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name[4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine
SMILESCOc1ccc(Oc2ccc(CN)c(C)c2)c(Br)c1
InChIInChI=1S/C15H16BrNO2/c1-10-7-13(4-3-11(10)9-17)19-15-6-5-12(18-2)8-14(15)16/h3-8H,9,17H2,1-2H3
InChIKeyPDIZOIGUVRJODX-UHFFFAOYSA-N
XLogP4.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-4-methoxybenzene
CID 107089149
[2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 104706374
[4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]methanamine
CID 107655066
[2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine
CID 81299924
[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine
CID 113443511
[2-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 107532595
[2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 104706382
[5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine
CID 114889855
[2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine
CID 114880011
[4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine
CID 55038503
2-(4-bromo-3-methylphenoxy)-4-methoxyaniline
CID 83133415
[6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine
CID 104708330

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine?
The IUPAC name of [4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine (CID 104706389) is [4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine.
What is the SMILES notation for [4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine?
The canonical SMILES for [4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine is COc1ccc(Oc2ccc(CN)c(C)c2)c(Br)c1.
What is the InChIKey of [4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine?
The InChIKey is PDIZOIGUVRJODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10-7-13(4-3-11(10)9-17)19-15-6-5-12(18-2)8-14(15)16/h3-8H,9,17H2,1-2H3.
What are the key properties of [4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine?
[4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine has a molecular weight of 322.20 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine is sourced from PubChem (CID 104706389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).