(5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine

C13H12F2N2O — CID 105176629

IUPAC(5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine
SMILESCOc1ccc(F)cc1C(N)c1cncc(F)c1
InChIInChI=1S/C13H12F2N2O/c1-18-12-3-2-9(14)5-11(12)13(16)8-4-10(15)7-17-6-8/h2-7,13H,16H2,1H3
InChIKeyWGAWXZFUUFFDEX-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.42
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine

(5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine (PubChem CID 105176629) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine
PubChem CID105176629
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name(5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine
SMILESCOc1ccc(F)cc1C(N)c1cncc(F)c1
InChIInChI=1S/C13H12F2N2O/c1-18-12-3-2-9(14)5-11(12)13(16)8-4-10(15)7-17-6-8/h2-7,13H,16H2,1H3
InChIKeyWGAWXZFUUFFDEX-UHFFFAOYSA-N
XLogP2.42
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43125149
(3,5-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122354
(5-fluoro-2-methoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43122364
4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 116936753
[2-(difluoromethoxy)phenyl]-(5-fluoro-3-pyridinyl)methanamine
CID 115805107
(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122398
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122336
(5-fluoro-2-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297192
(5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanamine
CID 82237909
1-(2,5-dimethoxyphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 115805232
(5-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43464539

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine (CID 105176629) is (5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine is COc1ccc(F)cc1C(N)c1cncc(F)c1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine?
The InChIKey is WGAWXZFUUFFDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-18-12-3-2-9(14)5-11(12)13(16)8-4-10(15)7-17-6-8/h2-7,13H,16H2,1H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine?
(5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine has a molecular weight of 250.25 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine is sourced from PubChem (CID 105176629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).