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

C17H22N2O2 — CID 62296049

IUPACN-[[2-(2-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCCOc1ccccc1Oc1ncccc1CNC(C)C
InChIInChI=1S/C17H22N2O2/c1-4-20-15-9-5-6-10-16(15)21-17-14(8-7-11-18-17)12-19-13(2)3/h5-11,13,19H,4,12H2,1-3H3
InChIKeyBTIAIPAYDRWBIK-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.77
Rot. Bonds7

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

N-[[2-(2-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62296049) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[2-(2-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID62296049
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[2-(2-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCCOc1ccccc1Oc1ncccc1CNC(C)C
InChIInChI=1S/C17H22N2O2/c1-4-20-15-9-5-6-10-16(15)21-17-14(8-7-11-18-17)12-19-13(2)3/h5-11,13,19H,4,12H2,1-3H3
InChIKeyBTIAIPAYDRWBIK-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-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
CID 62290830
N-[[2-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297086
N-[[2-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63648734
N-[[2-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 76938464
1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 60859643
N-[[2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297430
N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289954
N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62288607
N-[[2-(2,3,6-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62322927
1-[2-(2-butan-2-ylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62322019
N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 82831234
N-[[2-(2-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine
CID 103285396

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine (CID 62296049) is N-[[2-(2-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine is CCOc1ccccc1Oc1ncccc1CNC(C)C.
What is the InChIKey of N-[[2-(2-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is BTIAIPAYDRWBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-20-15-9-5-6-10-16(15)21-17-14(8-7-11-18-17)12-19-13(2)3/h5-11,13,19H,4,12H2,1-3H3.
What are the key properties of N-[[2-(2-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[2-(2-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-[[2-(2-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62296049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).