[6-(2,4-dimethylphenyl)-2-fluoro-3-pyridinyl]methanamine

C14H15FN2 — CID 165452063

IUPAC[6-(2,4-dimethylphenyl)-2-fluoro-3-pyridinyl]methanamine
SMILESCc1ccc(-c2ccc(CN)c(F)n2)c(C)c1
InChIInChI=1S/C14H15FN2/c1-9-3-5-12(10(2)7-9)13-6-4-11(8-16)14(15)17-13/h3-7H,8,16H2,1-2H3
InChIKeyLEVYWKOPDMXIJX-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.96
Rot. Bonds2

About [6-(2,4-dimethylphenyl)-2-fluoro-3-pyridinyl]methanamine

[6-(2,4-dimethylphenyl)-2-fluoro-3-pyridinyl]methanamine (PubChem CID 165452063) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is [6-(2,4-dimethylphenyl)-2-fluoro-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(2,4-dimethylphenyl)-2-fluoro-3-pyridinyl]methanamine
PubChem CID165452063
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name[6-(2,4-dimethylphenyl)-2-fluoro-3-pyridinyl]methanamine
SMILESCc1ccc(-c2ccc(CN)c(F)n2)c(C)c1
InChIInChI=1S/C14H15FN2/c1-9-3-5-12(10(2)7-9)13-6-4-11(8-16)14(15)17-13/h3-7H,8,16H2,1-2H3
InChIKeyLEVYWKOPDMXIJX-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-(2,4-dimethylphenyl)-2,3-dimethylpyridine;ethane
CID 176948420
(2,4-dimethylphenyl)methanamine;propane
CID 143780972
2-(2,4-dimethylphenyl)-4-fluoropyridine
CID 102824457
[2-(2,4-dimethylphenyl)-4-methoxyphenyl]methanamine
CID 141455779
[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61323958
[4-methyl-2-(trifluoromethylsulfanyl)phenyl]methanamine
CID 170900093
3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 116965093
N'-[6-(2,4-dimethylphenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191427
6-(2,4-dimethylphenyl)-2-methylpyridine-3-carboximidamide
CID 82452571
(2-fluoro-5-methylphenyl)methanamine;hydrochloride
CID 117064774
1-[4-(2,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892482
4-(2,4-dimethylphenyl)-2-(trifluoromethyl)pyrimidine
CID 116903677

Frequently Asked Questions

What is the IUPAC name of [6-(2,4-dimethylphenyl)-2-fluoro-3-pyridinyl]methanamine?
The IUPAC name of [6-(2,4-dimethylphenyl)-2-fluoro-3-pyridinyl]methanamine (CID 165452063) is [6-(2,4-dimethylphenyl)-2-fluoro-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(2,4-dimethylphenyl)-2-fluoro-3-pyridinyl]methanamine?
The canonical SMILES for [6-(2,4-dimethylphenyl)-2-fluoro-3-pyridinyl]methanamine is Cc1ccc(-c2ccc(CN)c(F)n2)c(C)c1.
What is the InChIKey of [6-(2,4-dimethylphenyl)-2-fluoro-3-pyridinyl]methanamine?
The InChIKey is LEVYWKOPDMXIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-9-3-5-12(10(2)7-9)13-6-4-11(8-16)14(15)17-13/h3-7H,8,16H2,1-2H3.
What are the key properties of [6-(2,4-dimethylphenyl)-2-fluoro-3-pyridinyl]methanamine?
[6-(2,4-dimethylphenyl)-2-fluoro-3-pyridinyl]methanamine has a molecular weight of 230.29 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,4-dimethylphenyl)-2-fluoro-3-pyridinyl]methanamine is sourced from PubChem (CID 165452063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).