N-[[6-(4-bromo-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine

C17H21BrN2O — CID 63217068

IUPACN-[[6-(4-bromo-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(Br)ccc1Oc1cccc(CNC(C)(C)C)n1
InChIInChI=1S/C17H21BrN2O/c1-12-10-13(18)8-9-15(12)21-16-7-5-6-14(20-16)11-19-17(2,3)4/h5-10,19H,11H2,1-4H3
InChIKeyZALQPZPUHKHBTR-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.83
Rot. Bonds4

About N-[[6-(4-bromo-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[6-(4-bromo-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 63217068) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-[[6-(4-bromo-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(4-bromo-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID63217068
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-[[6-(4-bromo-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(Br)ccc1Oc1cccc(CNC(C)(C)C)n1
InChIInChI=1S/C17H21BrN2O/c1-12-10-13(18)8-9-15(12)21-16-7-5-6-14(20-16)11-19-17(2,3)4/h5-10,19H,11H2,1-4H3
InChIKeyZALQPZPUHKHBTR-UHFFFAOYSA-N
XLogP4.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63216590
2-[(4-bromo-2-methylphenoxy)methyl]-6-methoxypyridine
CID 63986285
2-methyl-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]propan-2-amine
CID 62291642
2-methyl-N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 63647366
N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107382214
N-[[6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62322346
2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine
CID 62292233
N-[[6-(3-ethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62298097
N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 66467274
2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62291181
N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298316
[6-(2,4-dibromophenoxy)-2-pyridinyl]methanamine
CID 64719282

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-bromo-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(4-bromo-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 63217068) is N-[[6-(4-bromo-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(4-bromo-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(4-bromo-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine is Cc1cc(Br)ccc1Oc1cccc(CNC(C)(C)C)n1.
What is the InChIKey of N-[[6-(4-bromo-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZALQPZPUHKHBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-12-10-13(18)8-9-15(12)21-16-7-5-6-14(20-16)11-19-17(2,3)4/h5-10,19H,11H2,1-4H3.
What are the key properties of N-[[6-(4-bromo-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[6-(4-bromo-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 349.27 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-bromo-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63217068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).