(3-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanamine

C13H13FN2O — CID 78018909

IUPAC(3-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ncccc2F)cc1
InChIInChI=1S/C13H13FN2O/c1-17-10-6-4-9(5-7-10)12(15)13-11(14)3-2-8-16-13/h2-8,12H,15H2,1H3
InChIKeyAFGQEFBWOZBBBK-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.28
Rot. Bonds3

About (3-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanamine

(3-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanamine (PubChem CID 78018909) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is (3-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanamine
PubChem CID78018909
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name(3-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ncccc2F)cc1
InChIInChI=1S/C13H13FN2O/c1-17-10-6-4-9(5-7-10)12(15)13-11(14)3-2-8-16-13/h2-8,12H,15H2,1H3
InChIKeyAFGQEFBWOZBBBK-UHFFFAOYSA-N
XLogP2.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 71144280
(S)-(4-chloro-3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 71165432
(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 116506384
(4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114053803
(1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride
CID 53487490
(3-cyclopropyloxyphenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 114522053
1-(3-chloro-2-pyridinyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 103444068
(4-methoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 43607953
(S)-(3-fluoro-2-pyridinyl)-[2-fluoro-4-(trifluoromethoxy)phenyl]methanamine
CID 71165379
(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine
CID 103395513
1-(3-fluoro-2-pyridinyl)-4-methoxybutan-1-amine
CID 114856715
1,2,3-benzotriazin-4-yl-(4-methoxyphenyl)methanamine
CID 68775417

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanamine?
The IUPAC name of (3-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanamine (CID 78018909) is (3-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanamine.
What is the SMILES notation for (3-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanamine?
The canonical SMILES for (3-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanamine is COc1ccc(C(N)c2ncccc2F)cc1.
What is the InChIKey of (3-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanamine?
The InChIKey is AFGQEFBWOZBBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-17-10-6-4-9(5-7-10)12(15)13-11(14)3-2-8-16-13/h2-8,12H,15H2,1H3.
What are the key properties of (3-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanamine?
(3-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanamine has a molecular weight of 232.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 78018909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).