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

C17H22N2O2 — CID 62296382

IUPACN-[[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCCOc1ccc(Oc2cccc(CNC(C)C)n2)cc1
InChIInChI=1S/C17H22N2O2/c1-4-20-15-8-10-16(11-9-15)21-17-7-5-6-14(19-17)12-18-13(2)3/h5-11,13,18H,4,12H2,1-3H3
InChIKeyDXOVDWJBGXHSTG-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.77
Rot. Bonds7

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

N-[[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 62296382) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl]propan-2-amine
PubChem CID62296382
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCCOc1ccc(Oc2cccc(CNC(C)C)n2)cc1
InChIInChI=1S/C17H22N2O2/c1-4-20-15-8-10-16(11-9-15)21-17-7-5-6-14(19-17)12-18-13(2)3/h5-11,13,18H,4,12H2,1-3H3
InChIKeyDXOVDWJBGXHSTG-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

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Related Compounds

N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine
CID 62291321
N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62298102
N-[(6-propan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
CID 62290162
N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine
CID 55058638
N-[[6-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62298309
N-[[6-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 55058800
N,N-dimethyl-3-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]aniline
CID 62322084
N-[[6-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine
CID 103285393
N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 116802934
N-[(6-pentan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
CID 102985999
N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
CID 11545437
N-[(6-but-2-enoxy-2-pyridinyl)methyl]propan-2-amine
CID 76938376

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl]propan-2-amine (CID 62296382) is N-[[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl]propan-2-amine is CCOc1ccc(Oc2cccc(CNC(C)C)n2)cc1.
What is the InChIKey of N-[[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is DXOVDWJBGXHSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-20-15-8-10-16(11-9-15)21-17-7-5-6-14(19-17)12-18-13(2)3/h5-11,13,18H,4,12H2,1-3H3.
What are the key properties of N-[[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl]propan-2-amine?
N-[[6-(4-ethoxyphenoxy)-2-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)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62296382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).