N-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine

C13H12F2N2O — CID 43312508

IUPACN-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine
SMILESCOc1ccc(NCc2cc(F)ccc2F)cn1
InChIInChI=1S/C13H12F2N2O/c1-18-13-5-3-11(8-17-13)16-7-9-6-10(14)2-4-12(9)15/h2-6,8,16H,7H2,1H3
InChIKeyRLZHYHYLPKQIMZ-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.98
Rot. Bonds4

About N-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine

N-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine (PubChem CID 43312508) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine
PubChem CID43312508
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC NameN-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine
SMILESCOc1ccc(NCc2cc(F)ccc2F)cn1
InChIInChI=1S/C13H12F2N2O/c1-18-13-5-3-11(8-17-13)16-7-9-6-10(14)2-4-12(9)15/h2-6,8,16H,7H2,1H3
InChIKeyRLZHYHYLPKQIMZ-UHFFFAOYSA-N
XLogP2.98
TPSA34.15 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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79840079
6-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 78851492
N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine
CID 81432610
6-bromo-N-[(2,5-difluorophenyl)methyl]-5-methylpyridin-3-amine
CID 113379891
methyl 4-[(2,5-difluorophenyl)methylamino]benzoate
CID 43312807
6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
CID 78851491
4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 82131275
N-[(2,5-difluorophenyl)methyl]-4-propan-2-ylaniline
CID 43312594
5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine
CID 104534685
3-chloro-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 105011735
4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123866
N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine
CID 112675874

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine (CID 43312508) is N-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine is COc1ccc(NCc2cc(F)ccc2F)cn1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine?
The InChIKey is RLZHYHYLPKQIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-18-13-5-3-11(8-17-13)16-7-9-6-10(14)2-4-12(9)15/h2-6,8,16H,7H2,1H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine?
N-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine has a molecular weight of 250.25 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine is sourced from PubChem (CID 43312508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).