[3-fluoro-2-(2-phenoxyethoxy)-4-pyridinyl]methanamine

C14H15FN2O2 — CID 105390892

IUPAC[3-fluoro-2-(2-phenoxyethoxy)-4-pyridinyl]methanamine
SMILESNCc1ccnc(OCCOc2ccccc2)c1F
InChIInChI=1S/C14H15FN2O2/c15-13-11(10-16)6-7-17-14(13)19-9-8-18-12-4-2-1-3-5-12/h1-7H,8-10,16H2
InChIKeyAPABUFWQWLMSPM-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.14
Rot. Bonds6

About [3-fluoro-2-(2-phenoxyethoxy)-4-pyridinyl]methanamine

[3-fluoro-2-(2-phenoxyethoxy)-4-pyridinyl]methanamine (PubChem CID 105390892) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is [3-fluoro-2-(2-phenoxyethoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-2-(2-phenoxyethoxy)-4-pyridinyl]methanamine
PubChem CID105390892
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name[3-fluoro-2-(2-phenoxyethoxy)-4-pyridinyl]methanamine
SMILESNCc1ccnc(OCCOc2ccccc2)c1F
InChIInChI=1S/C14H15FN2O2/c15-13-11(10-16)6-7-17-14(13)19-9-8-18-12-4-2-1-3-5-12/h1-7H,8-10,16H2
InChIKeyAPABUFWQWLMSPM-UHFFFAOYSA-N
XLogP2.14
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.14
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

[3-fluoro-2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanamine
CID 106449463
[2-(difluoromethoxy)-3-fluoro-4-pyridinyl]methanamine
CID 168892634
[2-[(3-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methanamine
CID 105391554
[2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391130
[3-fluoro-2-(4-methylpentan-2-yloxy)-4-pyridinyl]methanamine
CID 105390800
[5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine
CID 61098225
2-phenoxyethylmercury
CID 163598363
[3-fluoro-2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine
CID 105390958
(2-fluoro-3-phenoxyphenyl)methanamine;hydrochloride
CID 66843725
[2-(2-bromo-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391301
[2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391433
3-(2-phenoxyethoxy)pyrazine-2-carboximidamide
CID 62684730

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(2-phenoxyethoxy)-4-pyridinyl]methanamine?
The IUPAC name of [3-fluoro-2-(2-phenoxyethoxy)-4-pyridinyl]methanamine (CID 105390892) is [3-fluoro-2-(2-phenoxyethoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [3-fluoro-2-(2-phenoxyethoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [3-fluoro-2-(2-phenoxyethoxy)-4-pyridinyl]methanamine is NCc1ccnc(OCCOc2ccccc2)c1F.
What is the InChIKey of [3-fluoro-2-(2-phenoxyethoxy)-4-pyridinyl]methanamine?
The InChIKey is APABUFWQWLMSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c15-13-11(10-16)6-7-17-14(13)19-9-8-18-12-4-2-1-3-5-12/h1-7H,8-10,16H2.
What are the key properties of [3-fluoro-2-(2-phenoxyethoxy)-4-pyridinyl]methanamine?
[3-fluoro-2-(2-phenoxyethoxy)-4-pyridinyl]methanamine has a molecular weight of 262.28 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(2-phenoxyethoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 105390892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).