(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methanamine

C14H15FN2 — CID 79722165

IUPAC(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methanamine
SMILESCc1cc(C)cc(C(N)c2ccc(F)cn2)c1
InChIInChI=1S/C14H15FN2/c1-9-5-10(2)7-11(6-9)14(16)13-4-3-12(15)8-17-13/h3-8,14H,16H2,1-2H3
InChIKeyBKKMLJGJKRKPFW-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.89
Rot. Bonds2

About (3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methanamine

(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methanamine (PubChem CID 79722165) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methanamine
PubChem CID79722165
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methanamine
SMILESCc1cc(C)cc(C(N)c2ccc(F)cn2)c1
InChIInChI=1S/C14H15FN2/c1-9-5-10(2)7-11(6-9)14(16)13-4-3-12(15)8-17-13/h3-8,14H,16H2,1-2H3
InChIKeyBKKMLJGJKRKPFW-UHFFFAOYSA-N
XLogP2.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanamine
CID 115374873
N-[(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79722905
(5-fluoro-2-pyridinyl)-(4-phenylphenyl)methanamine
CID 79705608
(4-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanamine
CID 79722742
(5-fluoro-2-pyridinyl)-(4-methoxy-2-methylphenyl)methanamine
CID 79722314
(2,4-difluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 43197780
bis(3,5-dimethylphenyl)methanamine
CID 115796405
(6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanamine
CID 83125635
(3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530103
1-(5-fluoro-2-pyridinyl)-2,3-dimethylbutan-1-amine
CID 130647256
(3-fluoro-5-methylphenyl)-(4-methylphenyl)methanamine
CID 79704327
(3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 115796552

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methanamine?
The IUPAC name of (3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methanamine (CID 79722165) is (3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methanamine.
What is the SMILES notation for (3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methanamine?
The canonical SMILES for (3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methanamine is Cc1cc(C)cc(C(N)c2ccc(F)cn2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methanamine?
The InChIKey is BKKMLJGJKRKPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-9-5-10(2)7-11(6-9)14(16)13-4-3-12(15)8-17-13/h3-8,14H,16H2,1-2H3.
What are the key properties of (3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methanamine?
(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methanamine has a molecular weight of 230.29 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methanamine is sourced from PubChem (CID 79722165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).