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

C11H17FN2O — CID 105390794

IUPACN-[(2-ethoxy-3-fluoro-4-pyridinyl)methyl]propan-2-amine
SMILESCCOc1nccc(CNC(C)C)c1F
InChIInChI=1S/C11H17FN2O/c1-4-15-11-10(12)9(5-6-13-11)7-14-8(2)3/h5-6,8,14H,4,7H2,1-3H3
InChIKeyDZNFXGIRKLFIAZ-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.12
Rot. Bonds5

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

N-[(2-ethoxy-3-fluoro-4-pyridinyl)methyl]propan-2-amine (PubChem CID 105390794) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is N-[(2-ethoxy-3-fluoro-4-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-ethoxy-3-fluoro-4-pyridinyl)methyl]propan-2-amine
PubChem CID105390794
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC NameN-[(2-ethoxy-3-fluoro-4-pyridinyl)methyl]propan-2-amine
SMILESCCOc1nccc(CNC(C)C)c1F
InChIInChI=1S/C11H17FN2O/c1-4-15-11-10(12)9(5-6-13-11)7-14-8(2)3/h5-6,8,14H,4,7H2,1-3H3
InChIKeyDZNFXGIRKLFIAZ-UHFFFAOYSA-N
XLogP2.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-[[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-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
CID 62290830
N-[[3-fluoro-2-(1-phenylethoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105390852
N-[[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine
CID 103180864
N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105388745
N-[[2-(3-chloro-2-fluorophenoxy)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105391755
2-ethoxy-3-fluoro-4-methylpyridine
CID 88977176
1-(3-fluoro-2-propoxy-4-pyridinyl)-N-methylmethanamine
CID 105390997
N-[[2-(4-ethylpiperazin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105388897

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-fluoro-4-pyridinyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-ethoxy-3-fluoro-4-pyridinyl)methyl]propan-2-amine (CID 105390794) is N-[(2-ethoxy-3-fluoro-4-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-ethoxy-3-fluoro-4-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-ethoxy-3-fluoro-4-pyridinyl)methyl]propan-2-amine is CCOc1nccc(CNC(C)C)c1F.
What is the InChIKey of N-[(2-ethoxy-3-fluoro-4-pyridinyl)methyl]propan-2-amine?
The InChIKey is DZNFXGIRKLFIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-4-15-11-10(12)9(5-6-13-11)7-14-8(2)3/h5-6,8,14H,4,7H2,1-3H3.
What are the key properties of N-[(2-ethoxy-3-fluoro-4-pyridinyl)methyl]propan-2-amine?
N-[(2-ethoxy-3-fluoro-4-pyridinyl)methyl]propan-2-amine has a molecular weight of 212.27 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-fluoro-4-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 105390794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).