[2-[(2,4-difluorophenyl)methoxy]-4-pyridinyl]methanamine

C13H12F2N2O — CID 171787074

IUPAC[2-[(2,4-difluorophenyl)methoxy]-4-pyridinyl]methanamine
SMILESNCc1ccnc(OCc2ccc(F)cc2F)c1
InChIInChI=1S/C13H12F2N2O/c14-11-2-1-10(12(15)6-11)8-18-13-5-9(7-16)3-4-17-13/h1-6H,7-8,16H2
InChIKeyZNFWIAUKPOAVGC-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.40
Rot. Bonds4

About [2-[(2,4-difluorophenyl)methoxy]-4-pyridinyl]methanamine

[2-[(2,4-difluorophenyl)methoxy]-4-pyridinyl]methanamine (PubChem CID 171787074) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is [2-[(2,4-difluorophenyl)methoxy]-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[(2,4-difluorophenyl)methoxy]-4-pyridinyl]methanamine
PubChem CID171787074
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name[2-[(2,4-difluorophenyl)methoxy]-4-pyridinyl]methanamine
SMILESNCc1ccnc(OCc2ccc(F)cc2F)c1
InChIInChI=1S/C13H12F2N2O/c14-11-2-1-10(12(15)6-11)8-18-13-5-9(7-16)3-4-17-13/h1-6H,7-8,16H2
InChIKeyZNFWIAUKPOAVGC-UHFFFAOYSA-N
XLogP2.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-fluorophenyl)methoxy]-4-pyridinyl]methanamine
CID 69248069
[2-(2-fluoroethoxy)-4-pyridinyl]methanamine
CID 171787152
[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride
CID 154617782
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
5-[[4-(aminomethyl)-2-pyridinyl]oxy]-1-[(2,4-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-2-ol
CID 175349989
2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline
CID 62368347
[3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 63269028
2-[(4-fluoro-2-pyridinyl)oxy]ethanamine;hydrochloride
CID 176730678
[2-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607460
[4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine
CID 43621898
[2-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine
CID 114470522
N-[[2-[(2-fluorophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine
CID 63937965

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-difluorophenyl)methoxy]-4-pyridinyl]methanamine?
The IUPAC name of [2-[(2,4-difluorophenyl)methoxy]-4-pyridinyl]methanamine (CID 171787074) is [2-[(2,4-difluorophenyl)methoxy]-4-pyridinyl]methanamine.
What is the SMILES notation for [2-[(2,4-difluorophenyl)methoxy]-4-pyridinyl]methanamine?
The canonical SMILES for [2-[(2,4-difluorophenyl)methoxy]-4-pyridinyl]methanamine is NCc1ccnc(OCc2ccc(F)cc2F)c1.
What is the InChIKey of [2-[(2,4-difluorophenyl)methoxy]-4-pyridinyl]methanamine?
The InChIKey is ZNFWIAUKPOAVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c14-11-2-1-10(12(15)6-11)8-18-13-5-9(7-16)3-4-17-13/h1-6H,7-8,16H2.
What are the key properties of [2-[(2,4-difluorophenyl)methoxy]-4-pyridinyl]methanamine?
[2-[(2,4-difluorophenyl)methoxy]-4-pyridinyl]methanamine has a molecular weight of 250.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-difluorophenyl)methoxy]-4-pyridinyl]methanamine is sourced from PubChem (CID 171787074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).