1-(2,5-difluorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine

C15H16F2N2O — CID 82893372

IUPAC1-(2,5-difluorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine
SMILESCOc1cc(C)nc(CNCc2cc(F)ccc2F)c1
InChIInChI=1S/C15H16F2N2O/c1-10-5-14(20-2)7-13(19-10)9-18-8-11-6-12(16)3-4-15(11)17/h3-7,18H,8-9H2,1-2H3
InChIKeyKXECSLKAEWIJEV-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.97
Rot. Bonds5

About 1-(2,5-difluorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine

1-(2,5-difluorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine (PubChem CID 82893372) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine
PubChem CID82893372
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name1-(2,5-difluorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine
SMILESCOc1cc(C)nc(CNCc2cc(F)ccc2F)c1
InChIInChI=1S/C15H16F2N2O/c1-10-5-14(20-2)7-13(19-10)9-18-8-11-6-12(16)3-4-15(11)17/h3-7,18H,8-9H2,1-2H3
InChIKeyKXECSLKAEWIJEV-UHFFFAOYSA-N
XLogP2.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine
CID 82893811
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 113438737
1-(4-methoxy-6-methyl-2-pyridinyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 82893756
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine
CID 82893583
1-(2-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 102876374
(4-methoxy-6-methyl-2-pyridinyl)methylhydrazine
CID 82893343
1-(2,5-difluorophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
CID 103172479
2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]acetic acid
CID 82893407
2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline
CID 103585743
2,2,3,3-tetrafluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 103529375
2-fluoro-5-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile
CID 82893368
2-chloro-4,6-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 83081751

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine (CID 82893372) is 1-(2,5-difluorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine is COc1cc(C)nc(CNCc2cc(F)ccc2F)c1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine?
The InChIKey is KXECSLKAEWIJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-10-5-14(20-2)7-13(19-10)9-18-8-11-6-12(16)3-4-15(11)17/h3-7,18H,8-9H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine?
1-(2,5-difluorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine has a molecular weight of 278.30 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 82893372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).