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

C14H23FN2O2 — CID 105391480

IUPACN-[[3-fluoro-2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(OCCOCCC)c1F
InChIInChI=1S/C14H23FN2O2/c1-3-6-16-11-12-5-7-17-14(13(12)15)19-10-9-18-8-4-2/h5,7,16H,3-4,6,8-11H2,1-2H3
InChIKeyXFOWDDPZLVZLPO-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.53
Rot. Bonds10

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

N-[[3-fluoro-2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 105391480) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[[3-fluoro-2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
PubChem CID105391480
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC NameN-[[3-fluoro-2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(OCCOCCC)c1F
InChIInChI=1S/C14H23FN2O2/c1-3-6-16-11-12-5-7-17-14(13(12)15)19-10-9-18-8-4-2/h5,7,16H,3-4,6,8-11H2,1-2H3
InChIKeyXFOWDDPZLVZLPO-UHFFFAOYSA-N
XLogP2.53
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.53
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-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine
CID 105391746
N-[[2-(2-ethoxyethoxy)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105390809
N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63685132
N-[[3-fluoro-2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]propan-1-amine
CID 105390919
1-(3-fluoro-2-propoxy-4-pyridinyl)-N-methylmethanamine
CID 105390997
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-(3-chloro-2-fluorophenoxy)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105391757
N-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
CID 105389291
1-(3-fluoro-2-hexoxy-4-pyridinyl)-N-methylmethanamine
CID 105390952
N-[[3-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]-4-pyridinyl]methyl]propan-1-amine
CID 105391574
N-[[3-fluoro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105390827

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-fluoro-2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine (CID 105391480) is N-[[3-fluoro-2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-fluoro-2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-fluoro-2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccnc(OCCOCCC)c1F.
What is the InChIKey of N-[[3-fluoro-2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is XFOWDDPZLVZLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-3-6-16-11-12-5-7-17-14(13(12)15)19-10-9-18-8-4-2/h5,7,16H,3-4,6,8-11H2,1-2H3.
What are the key properties of N-[[3-fluoro-2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine?
N-[[3-fluoro-2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 270.35 g/mol, XLogP of 2.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 105391480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).