N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine

C17H21BrN2O — CID 63216590

IUPACN-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(Br)ccc1Oc1ccc(CNC(C)(C)C)cn1
InChIInChI=1S/C17H21BrN2O/c1-12-9-14(18)6-7-15(12)21-16-8-5-13(10-19-16)11-20-17(2,3)4/h5-10,20H,11H2,1-4H3
InChIKeyFATDXZROPPCZKS-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.83
Rot. Bonds4

About N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 63216590) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID63216590
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(Br)ccc1Oc1ccc(CNC(C)(C)C)cn1
InChIInChI=1S/C17H21BrN2O/c1-12-9-14(18)6-7-15(12)21-16-8-5-13(10-19-16)11-20-17(2,3)4/h5-10,20H,11H2,1-4H3
InChIKeyFATDXZROPPCZKS-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-1-amine
CID 63216591
N-[[6-(4-bromo-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63217068
1-[6-(4-tert-butyl-2-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62323119
1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine
CID 80640067
N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 64853702
N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 107285112
1-[6-(2,4-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058595
N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 107285151
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107382214
N-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62322221
N-[[6-(2,4-dibromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64721563

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 63216590) is N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine is Cc1cc(Br)ccc1Oc1ccc(CNC(C)(C)C)cn1.
What is the InChIKey of N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is FATDXZROPPCZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-12-9-14(18)6-7-15(12)21-16-8-5-13(10-19-16)11-20-17(2,3)4/h5-10,20H,11H2,1-4H3.
What are the key properties of N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[6-(4-bromo-2-methylphenoxy)-3-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)-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63216590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).