N-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine

C17H22N2O — CID 62802224

IUPACN-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1ccccc1OCC
InChIInChI=1S/C17H22N2O/c1-3-11-19-17(14-9-12-18-13-10-14)15-7-5-6-8-16(15)20-4-2/h5-10,12-13,17,19H,3-4,11H2,1-2H3
InChIKeyXQKRZLLASQCPMM-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.57
Rot. Bonds7

About N-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine

N-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine (PubChem CID 62802224) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine
PubChem CID62802224
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1ccccc1OCC
InChIInChI=1S/C17H22N2O/c1-3-11-19-17(14-9-12-18-13-10-14)15-7-5-6-8-16(15)20-4-2/h5-10,12-13,17,19H,3-4,11H2,1-2H3
InChIKeyXQKRZLLASQCPMM-UHFFFAOYSA-N
XLogP3.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[naphthalen-1-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62790694
N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine
CID 63415844
N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 62790171
N-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105093478
N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62814161
N-[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989997
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
N-[(2-ethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]propan-1-amine
CID 105145067
N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
N-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 103433341
N-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 115853680
N-[pyridin-4-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 62963949

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine (CID 62802224) is N-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine is CCCNC(c1ccncc1)c1ccccc1OCC.
What is the InChIKey of N-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine?
The InChIKey is XQKRZLLASQCPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-11-19-17(14-9-12-18-13-10-14)15-7-5-6-8-16(15)20-4-2/h5-10,12-13,17,19H,3-4,11H2,1-2H3.
What are the key properties of N-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine?
N-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine is sourced from PubChem (CID 62802224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).