(4-fluoro-3-methoxyphenyl)-(3-fluoro-4-pyridinyl)methanamine

C13H12F2N2O — CID 105038146

IUPAC(4-fluoro-3-methoxyphenyl)-(3-fluoro-4-pyridinyl)methanamine
SMILESCOc1cc(C(N)c2ccncc2F)ccc1F
InChIInChI=1S/C13H12F2N2O/c1-18-12-6-8(2-3-10(12)14)13(16)9-4-5-17-7-11(9)15/h2-7,13H,16H2,1H3
InChIKeyHQXBKNHHXNEEIO-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.42
Rot. Bonds3

About (4-fluoro-3-methoxyphenyl)-(3-fluoro-4-pyridinyl)methanamine

(4-fluoro-3-methoxyphenyl)-(3-fluoro-4-pyridinyl)methanamine (PubChem CID 105038146) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl)-(3-fluoro-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-fluoro-3-methoxyphenyl)-(3-fluoro-4-pyridinyl)methanamine
PubChem CID105038146
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name(4-fluoro-3-methoxyphenyl)-(3-fluoro-4-pyridinyl)methanamine
SMILESCOc1cc(C(N)c2ccncc2F)ccc1F
InChIInChI=1S/C13H12F2N2O/c1-18-12-6-8(2-3-10(12)14)13(16)9-4-5-17-7-11(9)15/h2-7,13H,16H2,1H3
InChIKeyHQXBKNHHXNEEIO-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

(2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283015
(4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 115851839
(2,5-dibromophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283090
(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283519
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 81283664
(2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038151
(3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine
CID 24688761
(3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81288247
(3-methoxy-4-pyridinyl)-pyrimidin-5-ylmethanamine
CID 105065336
(3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514449
(3-fluoro-4-pyridinyl)-(2,4,5-trimethoxyphenyl)methanol
CID 104737555
(4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine
CID 105035771

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxyphenyl)-(3-fluoro-4-pyridinyl)methanamine?
The IUPAC name of (4-fluoro-3-methoxyphenyl)-(3-fluoro-4-pyridinyl)methanamine (CID 105038146) is (4-fluoro-3-methoxyphenyl)-(3-fluoro-4-pyridinyl)methanamine.
What is the SMILES notation for (4-fluoro-3-methoxyphenyl)-(3-fluoro-4-pyridinyl)methanamine?
The canonical SMILES for (4-fluoro-3-methoxyphenyl)-(3-fluoro-4-pyridinyl)methanamine is COc1cc(C(N)c2ccncc2F)ccc1F.
What is the InChIKey of (4-fluoro-3-methoxyphenyl)-(3-fluoro-4-pyridinyl)methanamine?
The InChIKey is HQXBKNHHXNEEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-18-12-6-8(2-3-10(12)14)13(16)9-4-5-17-7-11(9)15/h2-7,13H,16H2,1H3.
What are the key properties of (4-fluoro-3-methoxyphenyl)-(3-fluoro-4-pyridinyl)methanamine?
(4-fluoro-3-methoxyphenyl)-(3-fluoro-4-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 (4-fluoro-3-methoxyphenyl)-(3-fluoro-4-pyridinyl)methanamine is sourced from PubChem (CID 105038146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).