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

C15H25FN2O3 — CID 103180864

IUPACN-[[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine
SMILESCOCCCOCCOc1nccc(CNC(C)C)c1F
InChIInChI=1S/C15H25FN2O3/c1-12(2)18-11-13-5-6-17-15(14(13)16)21-10-9-20-8-4-7-19-3/h5-6,12,18H,4,7-11H2,1-3H3
InChIKeyVXBRPLSFFVKJMP-UHFFFAOYSA-N
MW300.37 g/mol
LogP2.15
Rot. Bonds11

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

N-[[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine (PubChem CID 103180864) has the molecular formula C15H25FN2O3 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine
PubChem CID103180864
Molecular FormulaC15H25FN2O3
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC NameN-[[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine
SMILESCOCCCOCCOc1nccc(CNC(C)C)c1F
InChIInChI=1S/C15H25FN2O3/c1-12(2)18-11-13-5-6-17-15(14(13)16)21-10-9-20-8-4-7-19-3/h5-6,12,18H,4,7-11H2,1-3H3
InChIKeyVXBRPLSFFVKJMP-UHFFFAOYSA-N
XLogP2.15
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 52.15
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-heptoxy-4-pyridinyl)methyl]propan-2-amine
CID 105390901
3-[[3-fluoro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 105391234
N-[(2-ethoxy-3-fluoro-4-pyridinyl)methyl]propan-2-amine
CID 105390794
N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62288607
N-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine
CID 105391746
[3-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-pyridinyl]methanamine
CID 105391741
N-[[3-fluoro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105391187
N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105391560
N-[[3-fluoro-2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105391480
N-[[2-(3-chloro-2-fluorophenoxy)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105391755
N-[[6-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 103180844
N-[[3-fluoro-2-(1-phenylethoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105390852

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine (CID 103180864) is N-[[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine is COCCCOCCOc1nccc(CNC(C)C)c1F.
What is the InChIKey of N-[[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is VXBRPLSFFVKJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O3/c1-12(2)18-11-13-5-6-17-15(14(13)16)21-10-9-20-8-4-7-19-3/h5-6,12,18H,4,7-11H2,1-3H3.
What are the key properties of N-[[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine?
N-[[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 300.37 g/mol, XLogP of 2.15, 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-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 103180864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).