N-[[4-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]ethanamine

C15H17BrN2O — CID 83134272

IUPACN-[[4-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Oc2ccc(Br)c(C)c2)ccn1
InChIInChI=1S/C15H17BrN2O/c1-3-17-10-12-9-14(6-7-18-12)19-13-4-5-15(16)11(2)8-13/h4-9,17H,3,10H2,1-2H3
InChIKeyJFCLTOCQXAEZHD-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.05
Rot. Bonds5

About N-[[4-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]ethanamine

N-[[4-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]ethanamine (PubChem CID 83134272) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[[4-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]ethanamine
PubChem CID83134272
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-[[4-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Oc2ccc(Br)c(C)c2)ccn1
InChIInChI=1S/C15H17BrN2O/c1-3-17-10-12-9-14(6-7-18-12)19-13-4-5-15(16)11(2)8-13/h4-9,17H,3,10H2,1-2H3
InChIKeyJFCLTOCQXAEZHD-UHFFFAOYSA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromo-3-methylphenoxy)-2-(chloromethyl)pyridine
CID 83134736
N-[[4-(3,5-difluorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 62786202
N-[[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-2-pyridinyl]methyl]ethanamine
CID 62321397
N-[[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 106908616
N-[[4-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62297574
N-[[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 83134584
N-[(4-prop-2-enoxy-2-pyridinyl)methyl]ethanamine
CID 62288081
N-[[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 83141064
N-[[4-(4-bromo-3,5-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 107726012
[4-(3,4-dimethylphenoxy)-2-pyridinyl]methanamine
CID 62297494
N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221726
[2-(4-bromo-3-methylphenoxy)-4-pyridinyl]methanamine
CID 83134094

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]ethanamine (CID 83134272) is N-[[4-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]ethanamine is CCNCc1cc(Oc2ccc(Br)c(C)c2)ccn1.
What is the InChIKey of N-[[4-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]ethanamine?
The InChIKey is JFCLTOCQXAEZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-3-17-10-12-9-14(6-7-18-12)19-13-4-5-15(16)11(2)8-13/h4-9,17H,3,10H2,1-2H3.
What are the key properties of N-[[4-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]ethanamine?
N-[[4-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]ethanamine has a molecular weight of 321.22 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 83134272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).