(3,5-difluorophenyl)-(2,6-dimethyl-3-pyridinyl)methanamine

C14H14F2N2 — CID 105142017

IUPAC(3,5-difluorophenyl)-(2,6-dimethyl-3-pyridinyl)methanamine
SMILESCc1ccc(C(N)c2cc(F)cc(F)c2)c(C)n1
InChIInChI=1S/C14H14F2N2/c1-8-3-4-13(9(2)18-8)14(17)10-5-11(15)7-12(16)6-10/h3-7,14H,17H2,1-2H3
InChIKeyZHYOVFKSHMKZBO-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.02
Rot. Bonds2

About (3,5-difluorophenyl)-(2,6-dimethyl-3-pyridinyl)methanamine

(3,5-difluorophenyl)-(2,6-dimethyl-3-pyridinyl)methanamine (PubChem CID 105142017) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(2,6-dimethyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(2,6-dimethyl-3-pyridinyl)methanamine
PubChem CID105142017
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name(3,5-difluorophenyl)-(2,6-dimethyl-3-pyridinyl)methanamine
SMILESCc1ccc(C(N)c2cc(F)cc(F)c2)c(C)n1
InChIInChI=1S/C14H14F2N2/c1-8-3-4-13(9(2)18-8)14(17)10-5-11(15)7-12(16)6-10/h3-7,14H,17H2,1-2H3
InChIKeyZHYOVFKSHMKZBO-UHFFFAOYSA-N
XLogP3.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(2,6-dimethyl-3-pyridinyl)methanamine?
The IUPAC name of (3,5-difluorophenyl)-(2,6-dimethyl-3-pyridinyl)methanamine (CID 105142017) is (3,5-difluorophenyl)-(2,6-dimethyl-3-pyridinyl)methanamine.
What is the SMILES notation for (3,5-difluorophenyl)-(2,6-dimethyl-3-pyridinyl)methanamine?
The canonical SMILES for (3,5-difluorophenyl)-(2,6-dimethyl-3-pyridinyl)methanamine is Cc1ccc(C(N)c2cc(F)cc(F)c2)c(C)n1.
What is the InChIKey of (3,5-difluorophenyl)-(2,6-dimethyl-3-pyridinyl)methanamine?
The InChIKey is ZHYOVFKSHMKZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-8-3-4-13(9(2)18-8)14(17)10-5-11(15)7-12(16)6-10/h3-7,14H,17H2,1-2H3.
What are the key properties of (3,5-difluorophenyl)-(2,6-dimethyl-3-pyridinyl)methanamine?
(3,5-difluorophenyl)-(2,6-dimethyl-3-pyridinyl)methanamine has a molecular weight of 248.28 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(2,6-dimethyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105142017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).