N-[[6-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine

C17H22N2O — CID 62321526

IUPACN-[[6-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCCc1ccccc1Oc1ccc(CNC(C)C)cn1
InChIInChI=1S/C17H22N2O/c1-4-15-7-5-6-8-16(15)20-17-10-9-14(12-19-17)11-18-13(2)3/h5-10,12-13,18H,4,11H2,1-3H3
InChIKeyVEHXMMJUNWSYIF-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.93
Rot. Bonds6

About N-[[6-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine

N-[[6-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62321526) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[6-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID62321526
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[[6-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCCc1ccccc1Oc1ccc(CNC(C)C)cn1
InChIInChI=1S/C17H22N2O/c1-4-15-7-5-6-8-16(15)20-17-10-9-14(12-19-17)11-18-13(2)3/h5-10,12-13,18H,4,11H2,1-3H3
InChIKeyVEHXMMJUNWSYIF-UHFFFAOYSA-N
XLogP3.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 76938428
N-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62295710
N-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296185
N-[[6-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62298309
[2-[[5-(methylaminomethyl)-2-pyridinyl]oxy]phenyl]methanol
CID 80633758
N-[[6-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62323095
N-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289960
5-(2-ethylphenoxy)pyrazin-2-amine
CID 80663708
N-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62322221
N-[[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62322902
4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 80637430
N-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107382000

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine (CID 62321526) is N-[[6-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine is CCc1ccccc1Oc1ccc(CNC(C)C)cn1.
What is the InChIKey of N-[[6-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is VEHXMMJUNWSYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-15-7-5-6-8-16(15)20-17-10-9-14(12-19-17)11-18-13(2)3/h5-10,12-13,18H,4,11H2,1-3H3.
What are the key properties of N-[[6-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[6-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 270.38 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62321526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).