[2-[(4-fluorophenyl)methoxy]-4-pyridinyl]methanamine

C13H13FN2O — CID 69248069

IUPAC[2-[(4-fluorophenyl)methoxy]-4-pyridinyl]methanamine
SMILESNCc1ccnc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C13H13FN2O/c14-12-3-1-10(2-4-12)9-17-13-7-11(8-15)5-6-16-13/h1-7H,8-9,15H2
InChIKeyQCPVNNWRQVJIDN-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.26
Rot. Bonds4

About [2-[(4-fluorophenyl)methoxy]-4-pyridinyl]methanamine

[2-[(4-fluorophenyl)methoxy]-4-pyridinyl]methanamine (PubChem CID 69248069) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methoxy]-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methoxy]-4-pyridinyl]methanamine
PubChem CID69248069
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name[2-[(4-fluorophenyl)methoxy]-4-pyridinyl]methanamine
SMILESNCc1ccnc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C13H13FN2O/c14-12-3-1-10(2-4-12)9-17-13-7-11(8-15)5-6-16-13/h1-7H,8-9,15H2
InChIKeyQCPVNNWRQVJIDN-UHFFFAOYSA-N
XLogP2.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2,4-difluorophenyl)methoxy]-4-pyridinyl]methanamine
CID 171787074
[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methanamine
CID 146194190
[2-(2-fluoroethoxy)-4-pyridinyl]methanamine
CID 171787152
[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride
CID 154617782
[3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine
CID 79886217
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
1-[(4-fluorophenyl)methyl]-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111233262
4-fluoro-2-[[4-[(E)-prop-1-enyl]phenyl]methoxy]pyridine
CID 90455512
2-[(4-fluorophenyl)methoxy]pyrimidine
CID 126953834
[2-(cycloheptylmethoxy)-4-pyridinyl]methanamine
CID 114247934
[2-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine
CID 114470522
[2-[3-(1H-1,2,4-triazol-5-yl)propoxy]-4-pyridinyl]methanamine
CID 143448905

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methoxy]-4-pyridinyl]methanamine?
The IUPAC name of [2-[(4-fluorophenyl)methoxy]-4-pyridinyl]methanamine (CID 69248069) is [2-[(4-fluorophenyl)methoxy]-4-pyridinyl]methanamine.
What is the SMILES notation for [2-[(4-fluorophenyl)methoxy]-4-pyridinyl]methanamine?
The canonical SMILES for [2-[(4-fluorophenyl)methoxy]-4-pyridinyl]methanamine is NCc1ccnc(OCc2ccc(F)cc2)c1.
What is the InChIKey of [2-[(4-fluorophenyl)methoxy]-4-pyridinyl]methanamine?
The InChIKey is QCPVNNWRQVJIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-12-3-1-10(2-4-12)9-17-13-7-11(8-15)5-6-16-13/h1-7H,8-9,15H2.
What are the key properties of [2-[(4-fluorophenyl)methoxy]-4-pyridinyl]methanamine?
[2-[(4-fluorophenyl)methoxy]-4-pyridinyl]methanamine has a molecular weight of 232.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methoxy]-4-pyridinyl]methanamine is sourced from PubChem (CID 69248069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).