[6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]methanamine

C13H12F2N2O — CID 106908225

IUPAC[6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]methanamine
SMILESNCc1cccc(COc2ccc(F)c(F)c2)n1
InChIInChI=1S/C13H12F2N2O/c14-12-5-4-11(6-13(12)15)18-8-10-3-1-2-9(7-16)17-10/h1-6H,7-8,16H2
InChIKeyNBJBZRFHSIGLDW-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.40
Rot. Bonds4

About [6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]methanamine

[6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]methanamine (PubChem CID 106908225) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is [6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]methanamine
PubChem CID106908225
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name[6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]methanamine
SMILESNCc1cccc(COc2ccc(F)c(F)c2)n1
InChIInChI=1S/C13H12F2N2O/c14-12-5-4-11(6-13(12)15)18-8-10-3-1-2-9(7-16)17-10/h1-6H,7-8,16H2
InChIKeyNBJBZRFHSIGLDW-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

[6-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 106908576
[3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine
CID 43554727
[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 106907819
6-[(3-bromo-4-fluorophenoxy)methyl]pyridin-2-amine
CID 83234987
[6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106907946
2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine
CID 79040362
[6-[(4-chloro-3-ethylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908219
[6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908300
N-[[6-[(4-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 106908554
2-[(3,4-difluorophenoxy)methyl]-3-fluoroaniline
CID 63331973
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
6-[(3-bromo-4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 163255214

Frequently Asked Questions

What is the IUPAC name of [6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]methanamine (CID 106908225) is [6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]methanamine is NCc1cccc(COc2ccc(F)c(F)c2)n1.
What is the InChIKey of [6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]methanamine?
The InChIKey is NBJBZRFHSIGLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c14-12-5-4-11(6-13(12)15)18-8-10-3-1-2-9(7-16)17-10/h1-6H,7-8,16H2.
What are the key properties of [6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]methanamine?
[6-[(3,4-difluorophenoxy)methyl]-2-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 [6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 106908225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).