2-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyridin-4-amine

C14H15FN2O — CID 175985378

IUPAC2-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyridin-4-amine
SMILESCOc1cc(F)c(C)c(-c2cc(N)ccn2)c1C
InChIInChI=1S/C14H15FN2O/c1-8-11(15)7-13(18-3)9(2)14(8)12-6-10(16)4-5-17-12/h4-7H,1-3H3,(H2,16,17)
InChIKeySZBABSGWUKWASA-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.10
Rot. Bonds2

About 2-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyridin-4-amine

2-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyridin-4-amine (PubChem CID 175985378) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyridin-4-amine.

Molecular Properties

Compound Name2-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyridin-4-amine
PubChem CID175985378
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name2-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyridin-4-amine
SMILESCOc1cc(F)c(C)c(-c2cc(N)ccn2)c1C
InChIInChI=1S/C14H15FN2O/c1-8-11(15)7-13(18-3)9(2)14(8)12-6-10(16)4-5-17-12/h4-7H,1-3H3,(H2,16,17)
InChIKeySZBABSGWUKWASA-UHFFFAOYSA-N
XLogP3.10
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyridin-4-amine?
The IUPAC name of 2-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyridin-4-amine (CID 175985378) is 2-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyridin-4-amine.
What is the SMILES notation for 2-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyridin-4-amine?
The canonical SMILES for 2-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyridin-4-amine is COc1cc(F)c(C)c(-c2cc(N)ccn2)c1C.
What is the InChIKey of 2-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyridin-4-amine?
The InChIKey is SZBABSGWUKWASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-8-11(15)7-13(18-3)9(2)14(8)12-6-10(16)4-5-17-12/h4-7H,1-3H3,(H2,16,17).
What are the key properties of 2-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyridin-4-amine?
2-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyridin-4-amine has a molecular weight of 246.28 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyridin-4-amine is sourced from PubChem (CID 175985378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).