N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine

C11H18N2O — CID 81253184

IUPACN-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cnccc1OCC
InChIInChI=1S/C11H18N2O/c1-3-6-12-8-10-9-13-7-5-11(10)14-4-2/h5,7,9,12H,3-4,6,8H2,1-2H3
InChIKeyIVISXWCYHLHVRG-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.98
Rot. Bonds6

About N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine

N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine (PubChem CID 81253184) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
PubChem CID81253184
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cnccc1OCC
InChIInChI=1S/C11H18N2O/c1-3-6-12-8-10-9-13-7-5-11(10)14-4-2/h5,7,9,12H,3-4,6,8H2,1-2H3
InChIKeyIVISXWCYHLHVRG-UHFFFAOYSA-N
XLogP1.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.98
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-[[4-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82957136
N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-1-amine
CID 115505732
N-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075242
N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251291
N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine
CID 81250184
N-[[4-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-1-amine
CID 82832297
N-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251065
N-[[4-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253728
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105074907
N-[[4-(2-ethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250422
N-[[4-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253689
N-[(4-hexoxy-3-pyridinyl)methyl]ethanamine
CID 81255386

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine (CID 81253184) is N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine is CCCNCc1cnccc1OCC.
What is the InChIKey of N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is IVISXWCYHLHVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-6-12-8-10-9-13-7-5-11(10)14-4-2/h5,7,9,12H,3-4,6,8H2,1-2H3.
What are the key properties of N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine?
N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 81253184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).