N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine

C14H15BrN2O — CID 62297130

IUPACN-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2ccc(Br)cc2)nc1
InChIInChI=1S/C14H15BrN2O/c1-2-16-9-11-3-8-14(17-10-11)18-13-6-4-12(15)5-7-13/h3-8,10,16H,2,9H2,1H3
InChIKeyOROZVIOGQGVJQE-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.75
Rot. Bonds5

About N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine

N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 62297130) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID62297130
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC NameN-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2ccc(Br)cc2)nc1
InChIInChI=1S/C14H15BrN2O/c1-2-16-9-11-3-8-14(17-10-11)18-13-6-4-12(15)5-7-13/h3-8,10,16H,2,9H2,1H3
InChIKeyOROZVIOGQGVJQE-UHFFFAOYSA-N
XLogP3.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297385
N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62548588
N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296868
N-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 82716590
N-[[6-(4-bromophenoxy)pyridazin-3-yl]methyl]ethanamine
CID 62297651
N-[[6-(3-fluoro-4-nitrophenoxy)-3-pyridinyl]methyl]ethanamine
CID 80639066
[4-[(5-bromo-2-pyridinyl)oxy]phenyl]methanol
CID 61373994
N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
CID 62291138
N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296432
N-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62295710
ethyl 3-[[6-(4-ethylphenoxy)-3-pyridinyl]methylamino]propanoate
CID 118176696
N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 107285112

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine (CID 62297130) is N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine is CCNCc1ccc(Oc2ccc(Br)cc2)nc1.
What is the InChIKey of N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is OROZVIOGQGVJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-2-16-9-11-3-8-14(17-10-11)18-13-6-4-12(15)5-7-13/h3-8,10,16H,2,9H2,1H3.
What are the key properties of N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine?
N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine has a molecular weight of 307.19 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62297130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).