N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine

C16H20N2O — CID 62297631

IUPACN-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(Oc2cccc(C)c2C)c1
InChIInChI=1S/C16H20N2O/c1-4-17-11-14-8-9-18-16(10-14)19-15-7-5-6-12(2)13(15)3/h5-10,17H,4,11H2,1-3H3
InChIKeyXWOWHMIZIMHALQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.60
Rot. Bonds5

About N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine

N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine (PubChem CID 62297631) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine
PubChem CID62297631
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(Oc2cccc(C)c2C)c1
InChIInChI=1S/C16H20N2O/c1-4-17-11-14-8-9-18-16(10-14)19-15-7-5-6-12(2)13(15)3/h5-10,17H,4,11H2,1-3H3
InChIKeyXWOWHMIZIMHALQ-UHFFFAOYSA-N
XLogP3.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-chlorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297828
N-[[2-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62321836
N-[[2-(2,5-difluorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 63272898
N-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62323489
N-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297790
N-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 104708297
N-[[4-[(2,3-dimethylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62452788
N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 62298106
N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]-2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanamide
CID 166305364
N-[[2-(4-bromo-2-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 115402661
N-[[5-bromo-2-(2,3-dimethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296755
N-[[3-[(2-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62452902

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine (CID 62297631) is N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine is CCNCc1ccnc(Oc2cccc(C)c2C)c1.
What is the InChIKey of N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine?
The InChIKey is XWOWHMIZIMHALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-17-11-14-8-9-18-16(10-14)19-15-7-5-6-12(2)13(15)3/h5-10,17H,4,11H2,1-3H3.
What are the key properties of N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine?
N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62297631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).