N-[[5-fluoro-2-(4-methylpentoxy)-3-pyridinyl]methyl]ethanamine

C14H23FN2O — CID 114035538

IUPACN-[[5-fluoro-2-(4-methylpentoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(F)cnc1OCCCC(C)C
InChIInChI=1S/C14H23FN2O/c1-4-16-9-12-8-13(15)10-17-14(12)18-7-5-6-11(2)3/h8,10-11,16H,4-7,9H2,1-3H3
InChIKeyMMECYTBEHFYIAK-UHFFFAOYSA-N
MW254.35 g/mol
LogP3.15
Rot. Bonds8

About N-[[5-fluoro-2-(4-methylpentoxy)-3-pyridinyl]methyl]ethanamine

N-[[5-fluoro-2-(4-methylpentoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 114035538) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[[5-fluoro-2-(4-methylpentoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(4-methylpentoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID114035538
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC NameN-[[5-fluoro-2-(4-methylpentoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(F)cnc1OCCCC(C)C
InChIInChI=1S/C14H23FN2O/c1-4-16-9-12-8-13(15)10-17-14(12)18-7-5-6-11(2)3/h8,10-11,16H,4-7,9H2,1-3H3
InChIKeyMMECYTBEHFYIAK-UHFFFAOYSA-N
XLogP3.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 53.15
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-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]-N-methylmethanamine
CID 114035761
N-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 114035545
N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 113223004
N-[[5-fluoro-2-(2-methylpropoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 114035526
N-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83152328
N-[[4-fluoro-3-(4-methylpentoxymethyl)phenyl]methyl]ethanamine
CID 107457069
1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine
CID 62292187
N-[[2-(4-methylpentoxy)-5-nitrophenyl]methyl]ethanamine
CID 83152213
(5-fluoro-2-octan-2-yloxy-3-pyridinyl)methanol
CID 114034696
N-[[5-bromo-2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]ethanamine
CID 106205348
N-methyl-1-[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine
CID 106777324
N-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine
CID 62292560

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(4-methylpentoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-fluoro-2-(4-methylpentoxy)-3-pyridinyl]methyl]ethanamine (CID 114035538) is N-[[5-fluoro-2-(4-methylpentoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-fluoro-2-(4-methylpentoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-fluoro-2-(4-methylpentoxy)-3-pyridinyl]methyl]ethanamine is CCNCc1cc(F)cnc1OCCCC(C)C.
What is the InChIKey of N-[[5-fluoro-2-(4-methylpentoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is MMECYTBEHFYIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-4-16-9-12-8-13(15)10-17-14(12)18-7-5-6-11(2)3/h8,10-11,16H,4-7,9H2,1-3H3.
What are the key properties of N-[[5-fluoro-2-(4-methylpentoxy)-3-pyridinyl]methyl]ethanamine?
N-[[5-fluoro-2-(4-methylpentoxy)-3-pyridinyl]methyl]ethanamine has a molecular weight of 254.35 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(4-methylpentoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 114035538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).