1-(3-fluoro-2-hexoxy-4-pyridinyl)-N-methylmethanamine

C13H21FN2O — CID 105390952

IUPAC1-(3-fluoro-2-hexoxy-4-pyridinyl)-N-methylmethanamine
SMILESCCCCCCOc1nccc(CNC)c1F
InChIInChI=1S/C13H21FN2O/c1-3-4-5-6-9-17-13-12(14)11(10-15-2)7-8-16-13/h7-8,15H,3-6,9-10H2,1-2H3
InChIKeyJWHRYRKAZSRALS-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.90
Rot. Bonds8

About 1-(3-fluoro-2-hexoxy-4-pyridinyl)-N-methylmethanamine

1-(3-fluoro-2-hexoxy-4-pyridinyl)-N-methylmethanamine (PubChem CID 105390952) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-(3-fluoro-2-hexoxy-4-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-fluoro-2-hexoxy-4-pyridinyl)-N-methylmethanamine
PubChem CID105390952
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name1-(3-fluoro-2-hexoxy-4-pyridinyl)-N-methylmethanamine
SMILESCCCCCCOc1nccc(CNC)c1F
InChIInChI=1S/C13H21FN2O/c1-3-4-5-6-9-17-13-12(14)11(10-15-2)7-8-16-13/h7-8,15H,3-6,9-10H2,1-2H3
InChIKeyJWHRYRKAZSRALS-UHFFFAOYSA-N
XLogP2.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.90
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-propoxy-4-pyridinyl)-N-methylmethanamine
CID 105390997
N-[(3-fluoro-2-heptoxy-4-pyridinyl)methyl]propan-2-amine
CID 105390901
N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine
CID 62292620
N-butan-2-yl-N-butyl-3-fluoro-4-(methylaminomethyl)pyridin-2-amine
CID 105389718
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
1-[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]-N-methylmethanamine
CID 105391405
1-[2-(3,5-dimethoxyphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105391016
1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105391448
N-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine
CID 105391746
N-[(2-ethoxy-3-fluoro-4-pyridinyl)methyl]propan-2-amine
CID 105390794
1-[2-(4-bromo-2-methylphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105391454

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-hexoxy-4-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(3-fluoro-2-hexoxy-4-pyridinyl)-N-methylmethanamine (CID 105390952) is 1-(3-fluoro-2-hexoxy-4-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-fluoro-2-hexoxy-4-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-fluoro-2-hexoxy-4-pyridinyl)-N-methylmethanamine is CCCCCCOc1nccc(CNC)c1F.
What is the InChIKey of 1-(3-fluoro-2-hexoxy-4-pyridinyl)-N-methylmethanamine?
The InChIKey is JWHRYRKAZSRALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-3-4-5-6-9-17-13-12(14)11(10-15-2)7-8-16-13/h7-8,15H,3-6,9-10H2,1-2H3.
What are the key properties of 1-(3-fluoro-2-hexoxy-4-pyridinyl)-N-methylmethanamine?
1-(3-fluoro-2-hexoxy-4-pyridinyl)-N-methylmethanamine has a molecular weight of 240.32 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-hexoxy-4-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 105390952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).