N-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine

C17H22N2O2 — CID 114783211

IUPACN-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine
SMILESCCOc1cccc(OCCCNCc2ccccc2)n1
InChIInChI=1S/C17H22N2O2/c1-2-20-16-10-6-11-17(19-16)21-13-7-12-18-14-15-8-4-3-5-9-15/h3-6,8-11,18H,2,7,12-14H2,1H3
InChIKeyXJPSXZSMLFIRMH-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.04
Rot. Bonds9

About N-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine

N-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine (PubChem CID 114783211) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine
PubChem CID114783211
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine
SMILESCCOc1cccc(OCCCNCc2ccccc2)n1
InChIInChI=1S/C17H22N2O2/c1-2-20-16-10-6-11-17(19-16)21-13-7-12-18-14-15-8-4-3-5-9-15/h3-6,8-11,18H,2,7,12-14H2,1H3
InChIKeyXJPSXZSMLFIRMH-UHFFFAOYSA-N
XLogP3.04
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-(6-ethoxypyrimidin-4-yl)oxypropan-1-amine
CID 114783188
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
N-benzyl-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)propan-1-amine
CID 114783197
N-benzyl-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine
CID 114783134
N-benzyl-3-[(4-ethyl-1,3-thiazol-2-yl)oxy]propan-1-amine
CID 114783183
N-[(3-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132893630
N-benzylbutan-1-amine;ethane;ethene
CID 143478756
N-benzyl-3-[(4-methyl-1,3-thiazol-2-yl)oxy]propan-1-amine
CID 114783127
azane;N-benzylbutan-1-amine
CID 175388745
2,6-dibutoxypyridine
CID 67437244
N-ethyl-2-[(6-methoxy-2-pyridinyl)oxy]ethanamine
CID 63586299
N-benzyl-2-(2-propoxyphenoxy)ethanamine
CID 62573087

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine?
The IUPAC name of N-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine (CID 114783211) is N-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine.
What is the SMILES notation for N-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine?
The canonical SMILES for N-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine is CCOc1cccc(OCCCNCc2ccccc2)n1.
What is the InChIKey of N-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine?
The InChIKey is XJPSXZSMLFIRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-20-16-10-6-11-17(19-16)21-13-7-12-18-14-15-8-4-3-5-9-15/h3-6,8-11,18H,2,7,12-14H2,1H3.
What are the key properties of N-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine?
N-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine has a molecular weight of 286.38 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine is sourced from PubChem (CID 114783211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).