N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine

C17H21BrN2O — CID 63216591

IUPACN-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(Br)ccc1Oc1ccc(CNCC(C)C)cn1
InChIInChI=1S/C17H21BrN2O/c1-12(2)9-19-10-14-4-7-17(20-11-14)21-16-6-5-15(18)8-13(16)3/h4-8,11-12,19H,9-10H2,1-3H3
InChIKeyRQMHUJCQTWTFEY-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.69
Rot. Bonds6

About N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 63216591) 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-1-amine.

Molecular Properties

Compound NameN-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID63216591
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(Br)ccc1Oc1ccc(CNCC(C)C)cn1
InChIInChI=1S/C17H21BrN2O/c1-12(2)9-19-10-14-4-7-17(20-11-14)21-16-6-5-15(18)8-13(16)3/h4-8,11-12,19H,9-10H2,1-3H3
InChIKeyRQMHUJCQTWTFEY-UHFFFAOYSA-N
XLogP4.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 63216591) is N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine is Cc1cc(Br)ccc1Oc1ccc(CNCC(C)C)cn1.
What is the InChIKey of N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is RQMHUJCQTWTFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-12(2)9-19-10-14-4-7-17(20-11-14)21-16-6-5-15(18)8-13(16)3/h4-8,11-12,19H,9-10H2,1-3H3.
What are the key properties of N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 349.27 g/mol, XLogP of 4.69, 6 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-1-amine is sourced from PubChem (CID 63216591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).