[5-fluoro-2-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine

C16H19FN2O — CID 63289557

IUPAC[5-fluoro-2-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine
SMILESNCc1cc(F)ccc1COCCCc1ccncc1
InChIInChI=1S/C16H19FN2O/c17-16-4-3-14(15(10-16)11-18)12-20-9-1-2-13-5-7-19-8-6-13/h3-8,10H,1-2,9,11-12,18H2
InChIKeyJIPDZZJZIRAODR-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.83
Rot. Bonds7

About [5-fluoro-2-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine

[5-fluoro-2-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine (PubChem CID 63289557) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is [5-fluoro-2-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine
PubChem CID63289557
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name[5-fluoro-2-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine
SMILESNCc1cc(F)ccc1COCCCc1ccncc1
InChIInChI=1S/C16H19FN2O/c17-16-4-3-14(15(10-16)11-18)12-20-9-1-2-13-5-7-19-8-6-13/h3-8,10H,1-2,9,11-12,18H2
InChIKeyJIPDZZJZIRAODR-UHFFFAOYSA-N
XLogP2.83
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.83
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

4-fluoro-2-(3-pyridin-4-ylpropoxymethyl)aniline
CID 43443918
4-fluoro-2-(3-pyridin-4-ylpropoxymethyl)benzenecarbothioamide
CID 64766178
[5-fluoro-2-(hexoxymethyl)phenyl]methanamine
CID 63289474
[2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine
CID 65338927
[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methanamine
CID 80729712
[2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 62945709
[2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 81278633
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
[5-fluoro-2-(methoxymethyl)phenyl]methanamine
CID 63289386
4-ethoxy-3-(3-pyridin-4-ylpropoxymethyl)aniline
CID 43260207
[4-fluoro-2-(3-methylbutoxymethyl)phenyl]methanamine
CID 64764838
(1R)-1-[5-fluoro-2-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 29006434

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine?
The IUPAC name of [5-fluoro-2-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine (CID 63289557) is [5-fluoro-2-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine is NCc1cc(F)ccc1COCCCc1ccncc1.
What is the InChIKey of [5-fluoro-2-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine?
The InChIKey is JIPDZZJZIRAODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c17-16-4-3-14(15(10-16)11-18)12-20-9-1-2-13-5-7-19-8-6-13/h3-8,10H,1-2,9,11-12,18H2.
What are the key properties of [5-fluoro-2-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine?
[5-fluoro-2-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine has a molecular weight of 274.34 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine is sourced from PubChem (CID 63289557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).