N-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine

C14H23FN2O3 — CID 105391746

IUPACN-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(OCCOCCOC)c1F
InChIInChI=1S/C14H23FN2O3/c1-3-5-16-11-12-4-6-17-14(13(12)15)20-10-9-19-8-7-18-2/h4,6,16H,3,5,7-11H2,1-2H3
InChIKeyINRACUHQJXDHRJ-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.76
Rot. Bonds11

About N-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine

N-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine (PubChem CID 105391746) has the molecular formula C14H23FN2O3 and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine
PubChem CID105391746
Molecular FormulaC14H23FN2O3
Molecular Weight286.35 g/mol
Exact Mass286.17
IUPAC NameN-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(OCCOCCOC)c1F
InChIInChI=1S/C14H23FN2O3/c1-3-5-16-11-12-4-6-17-14(13(12)15)20-10-9-19-8-7-18-2/h4,6,16H,3,5,7-11H2,1-2H3
InChIKeyINRACUHQJXDHRJ-UHFFFAOYSA-N
XLogP1.76
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-fluoro-2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105391480
N-[[2-(2-ethoxyethoxy)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105390809
[3-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-pyridinyl]methanamine
CID 105391741
N-[[3-fluoro-2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]propan-1-amine
CID 105390919
N-[[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine
CID 103180864
N-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
CID 105389291
N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]propan-1-amine
CID 106597720
N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105391562
N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63685132
N-[[2-(3-chloro-2-fluorophenoxy)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105391757
1-(3-fluoro-2-propoxy-4-pyridinyl)-N-methylmethanamine
CID 105390997
N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62457882

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine (CID 105391746) is N-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccnc(OCCOCCOC)c1F.
What is the InChIKey of N-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is INRACUHQJXDHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O3/c1-3-5-16-11-12-4-6-17-14(13(12)15)20-10-9-19-8-7-18-2/h4,6,16H,3,5,7-11H2,1-2H3.
What are the key properties of N-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine?
N-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 286.35 g/mol, XLogP of 1.76, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 105391746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).