[4-bromo-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine

C17H20BrNO — CID 63552389

IUPAC[4-bromo-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine
SMILESCc1ccc(C(C)C)cc1Oc1cc(Br)ccc1CN
InChIInChI=1S/C17H20BrNO/c1-11(2)13-5-4-12(3)16(8-13)20-17-9-15(18)7-6-14(17)10-19/h4-9,11H,10,19H2,1-3H3
InChIKeyZBGFALMJOJKYKX-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.13
Rot. Bonds4

About [4-bromo-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine

[4-bromo-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine (PubChem CID 63552389) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is [4-bromo-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-bromo-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine
PubChem CID63552389
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name[4-bromo-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine
SMILESCc1ccc(C(C)C)cc1Oc1cc(Br)ccc1CN
InChIInChI=1S/C17H20BrNO/c1-11(2)13-5-4-12(3)16(8-13)20-17-9-15(18)7-6-14(17)10-19/h4-9,11H,10,19H2,1-3H3
InChIKeyZBGFALMJOJKYKX-UHFFFAOYSA-N
XLogP5.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62308844
2-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanamine
CID 63802592
5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
CID 114893289
2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 63817335
2-[5-chloro-2-(chloromethyl)phenoxy]-1-methyl-4-propan-2-ylbenzene
CID 114847049
2-[(5-bromo-2-fluorophenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
CID 81005014
2-[5-chloro-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine
CID 114863207
[4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine
CID 43365001
[4-bromo-2-(2-methylpropoxy)phenyl]methanamine
CID 115581634
1-[4-bromo-2-(2-methylphenoxy)phenyl]propan-2-amine
CID 63801754
[2-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 107542628
[2-(5-bromo-2-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 107283221

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine?
The IUPAC name of [4-bromo-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine (CID 63552389) is [4-bromo-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine.
What is the SMILES notation for [4-bromo-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine?
The canonical SMILES for [4-bromo-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine is Cc1ccc(C(C)C)cc1Oc1cc(Br)ccc1CN.
What is the InChIKey of [4-bromo-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine?
The InChIKey is ZBGFALMJOJKYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11(2)13-5-4-12(3)16(8-13)20-17-9-15(18)7-6-14(17)10-19/h4-9,11H,10,19H2,1-3H3.
What are the key properties of [4-bromo-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine?
[4-bromo-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine has a molecular weight of 334.26 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine is sourced from PubChem (CID 63552389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).