N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine

C17H22N2O — CID 62291948

IUPACN-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1OC(C)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-3-11-18-13-16-10-7-12-19-17(16)20-14(2)15-8-5-4-6-9-15/h4-10,12,14,18H,3,11,13H2,1-2H3
InChIKeyLKBHVBDMMLOVTF-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.72
Rot. Bonds7

About N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine

N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62291948) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID62291948
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1OC(C)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-3-11-18-13-16-10-7-12-19-17(16)20-14(2)15-8-5-4-6-9-15/h4-10,12,14,18H,3,11,13H2,1-2H3
InChIKeyLKBHVBDMMLOVTF-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine
CID 62295599
N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62291950
N-[[3-methyl-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine
CID 115952747
N-[[3-chloro-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine
CID 115953077
N-[[5-(1-phenylethoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381438
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine
CID 63490010
N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63685132
N-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 62296510
N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62292023
N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 116803075

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine (CID 62291948) is N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cccnc1OC(C)c1ccccc1.
What is the InChIKey of N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is LKBHVBDMMLOVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-11-18-13-16-10-7-12-19-17(16)20-14(2)15-8-5-4-6-9-15/h4-10,12,14,18H,3,11,13H2,1-2H3.
What are the key properties of N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62291948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).