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

C16H27FN2O — CID 105390901

IUPACN-[(3-fluoro-2-heptoxy-4-pyridinyl)methyl]propan-2-amine
SMILESCCCCCCCOc1nccc(CNC(C)C)c1F
InChIInChI=1S/C16H27FN2O/c1-4-5-6-7-8-11-20-16-15(17)14(9-10-18-16)12-19-13(2)3/h9-10,13,19H,4-8,11-12H2,1-3H3
InChIKeyVIRUAYNEFNYXCP-UHFFFAOYSA-N
MW282.40 g/mol
LogP4.07
Rot. Bonds10

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

N-[(3-fluoro-2-heptoxy-4-pyridinyl)methyl]propan-2-amine (PubChem CID 105390901) has the molecular formula C16H27FN2O and a molecular weight of 282.40 g/mol. Its IUPAC name is N-[(3-fluoro-2-heptoxy-4-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-2-heptoxy-4-pyridinyl)methyl]propan-2-amine
PubChem CID105390901
Molecular FormulaC16H27FN2O
Molecular Weight282.40 g/mol
Exact Mass282.21
IUPAC NameN-[(3-fluoro-2-heptoxy-4-pyridinyl)methyl]propan-2-amine
SMILESCCCCCCCOc1nccc(CNC(C)C)c1F
InChIInChI=1S/C16H27FN2O/c1-4-5-6-7-8-11-20-16-15(17)14(9-10-18-16)12-19-13(2)3/h9-10,13,19H,4-8,11-12H2,1-3H3
InChIKeyVIRUAYNEFNYXCP-UHFFFAOYSA-N
XLogP4.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 54.07
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

1-(3-fluoro-2-hexoxy-4-pyridinyl)-N-methylmethanamine
CID 105390952
N-[(2-ethoxy-3-fluoro-4-pyridinyl)methyl]propan-2-amine
CID 105390794
3-[[3-fluoro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 105391234
N-[[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine
CID 103180864
N-[[3-fluoro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105391187
1-(3-fluoro-2-propoxy-4-pyridinyl)-N-methylmethanamine
CID 105390997
N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105391560
N-[[3-fluoro-2-(1-phenylethoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105390852
N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105388745
N-[(3-fluoro-2-heptoxyphenyl)methyl]propan-2-amine
CID 115954986
N-[[2-(3-chloro-2-fluorophenoxy)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105391755
N-[(2-pentoxy-4-pyridinyl)methyl]propan-2-amine
CID 55058687

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-heptoxy-4-pyridinyl)methyl]propan-2-amine?
The IUPAC name of N-[(3-fluoro-2-heptoxy-4-pyridinyl)methyl]propan-2-amine (CID 105390901) is N-[(3-fluoro-2-heptoxy-4-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-fluoro-2-heptoxy-4-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-fluoro-2-heptoxy-4-pyridinyl)methyl]propan-2-amine is CCCCCCCOc1nccc(CNC(C)C)c1F.
What is the InChIKey of N-[(3-fluoro-2-heptoxy-4-pyridinyl)methyl]propan-2-amine?
The InChIKey is VIRUAYNEFNYXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O/c1-4-5-6-7-8-11-20-16-15(17)14(9-10-18-16)12-19-13(2)3/h9-10,13,19H,4-8,11-12H2,1-3H3.
What are the key properties of N-[(3-fluoro-2-heptoxy-4-pyridinyl)methyl]propan-2-amine?
N-[(3-fluoro-2-heptoxy-4-pyridinyl)methyl]propan-2-amine has a molecular weight of 282.40 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-heptoxy-4-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 105390901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).