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

C17H22N2O2 — CID 62298309

IUPACN-[[6-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCCOc1ccc(Oc2ccc(CNC(C)C)cn2)cc1
InChIInChI=1S/C17H22N2O2/c1-4-20-15-6-8-16(9-7-15)21-17-10-5-14(12-19-17)11-18-13(2)3/h5-10,12-13,18H,4,11H2,1-3H3
InChIKeyQCHZGIFLKVQGSZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.77
Rot. Bonds7

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

N-[[6-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62298309) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[6-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID62298309
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[6-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCCOc1ccc(Oc2ccc(CNC(C)C)cn2)cc1
InChIInChI=1S/C17H22N2O2/c1-4-20-15-6-8-16(9-7-15)21-17-10-5-14(12-19-17)11-18-13(2)3/h5-10,12-13,18H,4,11H2,1-3H3
InChIKeyQCHZGIFLKVQGSZ-UHFFFAOYSA-N
XLogP3.77
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine 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-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62295710
4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 80637430
5-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61268972
N-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296536
N-[[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62296382
N-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289960
N-[[6-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62321526
N-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296185
N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296432
5-chloro-2-(4-ethoxyphenoxy)pyridine
CID 66234109
N-[[6-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62323095
N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297130

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine (CID 62298309) is N-[[6-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine is CCOc1ccc(Oc2ccc(CNC(C)C)cn2)cc1.
What is the InChIKey of N-[[6-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is QCHZGIFLKVQGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-20-15-6-8-16(9-7-15)21-17-10-5-14(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-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[6-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 286.38 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62298309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).