1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]-N-methylmethanamine

C13H21FN2O2 — CID 114035761

IUPAC1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(F)cnc1OCCOCC(C)C
InChIInChI=1S/C13H21FN2O2/c1-10(2)9-17-4-5-18-13-11(7-15-3)6-12(14)8-16-13/h6,8,10,15H,4-5,7,9H2,1-3H3
InChIKeyGVHIMCZZDQKJLY-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.99
Rot. Bonds8

About 1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]-N-methylmethanamine

1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]-N-methylmethanamine (PubChem CID 114035761) has the molecular formula C13H21FN2O2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]-N-methylmethanamine
PubChem CID114035761
Molecular FormulaC13H21FN2O2
Molecular Weight256.32 g/mol
Exact Mass256.16
IUPAC Name1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(F)cnc1OCCOCC(C)C
InChIInChI=1S/C13H21FN2O2/c1-10(2)9-17-4-5-18-13-11(7-15-3)6-12(14)8-16-13/h6,8,10,15H,4-5,7,9H2,1-3H3
InChIKeyGVHIMCZZDQKJLY-UHFFFAOYSA-N
XLogP1.99
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.99
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-[[5-fluoro-2-(4-methylpentoxy)-3-pyridinyl]methyl]ethanamine
CID 114035538
N-[[5-fluoro-2-(2-methylpropoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 114035526
1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine
CID 62290504
N-[[5-chloro-6-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106449522
3-chloro-5-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448479
N-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 114035545
1-[5-fluoro-2-(furan-2-ylmethoxy)-3-pyridinyl]-N-methylmethanamine
CID 114035519
1-[5-chloro-3-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]-N-methylmethanamine
CID 106450713
5-fluoro-N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine
CID 114035298
1-[3,5-dichloro-2-[2-(2-methylpropoxy)ethoxy]phenyl]-N-methylmethanamine
CID 106449933
N-[[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 107695842
N-methyl-1-[2-[2-(2-methylpropoxy)ethoxy]-5-nitrophenyl]methanamine
CID 106449890

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]-N-methylmethanamine (CID 114035761) is 1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]-N-methylmethanamine is CNCc1cc(F)cnc1OCCOCC(C)C.
What is the InChIKey of 1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]-N-methylmethanamine?
The InChIKey is GVHIMCZZDQKJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2/c1-10(2)9-17-4-5-18-13-11(7-15-3)6-12(14)8-16-13/h6,8,10,15H,4-5,7,9H2,1-3H3.
What are the key properties of 1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]-N-methylmethanamine?
1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]-N-methylmethanamine has a molecular weight of 256.32 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 114035761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).