N-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine

C17H22N2O — CID 62295710

IUPACN-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCCc1ccc(Oc2ccc(CNC(C)C)cn2)cc1
InChIInChI=1S/C17H22N2O/c1-4-14-5-8-16(9-6-14)20-17-10-7-15(12-19-17)11-18-13(2)3/h5-10,12-13,18H,4,11H2,1-3H3
InChIKeyRXXOYLCBVWBQNW-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.93
Rot. Bonds6

About N-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine

N-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62295710) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID62295710
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCCc1ccc(Oc2ccc(CNC(C)C)cn2)cc1
InChIInChI=1S/C17H22N2O/c1-4-14-5-8-16(9-6-14)20-17-10-7-15(12-19-17)11-18-13(2)3/h5-10,12-13,18H,4,11H2,1-3H3
InChIKeyRXXOYLCBVWBQNW-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-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62298309
4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 80637430
N-[[6-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62321526
N-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296536
N-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289960
N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296432
N-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296185
ethyl 3-[[6-(4-ethylphenoxy)-3-pyridinyl]methylamino]propanoate
CID 118176696
N-[[6-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62323095
6-(4-ethylphenoxy)pyridine-3-carbaldehyde
CID 80631614
N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297130
2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine
CID 62288410

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine (CID 62295710) is N-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine is CCc1ccc(Oc2ccc(CNC(C)C)cn2)cc1.
What is the InChIKey of N-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is RXXOYLCBVWBQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-14-5-8-16(9-6-14)20-17-10-7-15(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-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[6-(4-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-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62295710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).