(3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine

C13H13FN2 — CID 60923509

IUPAC(3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine
SMILESCc1ccc(C(N)c2cccnc2)cc1F
InChIInChI=1S/C13H13FN2/c1-9-4-5-10(7-12(9)14)13(15)11-3-2-6-16-8-11/h2-8,13H,15H2,1H3
InChIKeyMSYTUSLPMDWREH-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.58
Rot. Bonds2

About (3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine

(3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine (PubChem CID 60923509) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine
PubChem CID60923509
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name(3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine
SMILESCc1ccc(C(N)c2cccnc2)cc1F
InChIInChI=1S/C13H13FN2/c1-9-4-5-10(7-12(9)14)13(15)11-3-2-6-16-8-11/h2-8,13H,15H2,1H3
InChIKeyMSYTUSLPMDWREH-UHFFFAOYSA-N
XLogP2.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156098
(3-fluoro-4-methylphenyl)-(3-methoxyphenyl)methanamine
CID 60819510
(3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine
CID 62813992
(5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine
CID 114885982
(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124203
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
(3-fluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine
CID 107129090
(5-methylfuran-3-yl)-pyridin-3-ylmethanamine
CID 115799285
ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine
CID 145185117
phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 28502674
(3-fluoro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43109404

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine?
The IUPAC name of (3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine (CID 60923509) is (3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine?
The canonical SMILES for (3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine is Cc1ccc(C(N)c2cccnc2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine?
The InChIKey is MSYTUSLPMDWREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-9-4-5-10(7-12(9)14)13(15)11-3-2-6-16-8-11/h2-8,13H,15H2,1H3.
What are the key properties of (3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine?
(3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine has a molecular weight of 216.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine is sourced from PubChem (CID 60923509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).