N-[[3-(difluoromethyl)phenyl]methyl]-2,6-dimethylpyridin-3-amine

C15H16F2N2 — CID 115526620

IUPACN-[[3-(difluoromethyl)phenyl]methyl]-2,6-dimethylpyridin-3-amine
SMILESCc1ccc(NCc2cccc(C(F)F)c2)c(C)n1
InChIInChI=1S/C15H16F2N2/c1-10-6-7-14(11(2)19-10)18-9-12-4-3-5-13(8-12)15(16)17/h3-8,15,18H,9H2,1-2H3
InChIKeyNYOFMAMGQYICCN-UHFFFAOYSA-N
MW262.30 g/mol
LogP4.25
Rot. Bonds4

About N-[[3-(difluoromethyl)phenyl]methyl]-2,6-dimethylpyridin-3-amine

N-[[3-(difluoromethyl)phenyl]methyl]-2,6-dimethylpyridin-3-amine (PubChem CID 115526620) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)phenyl]methyl]-2,6-dimethylpyridin-3-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)phenyl]methyl]-2,6-dimethylpyridin-3-amine
PubChem CID115526620
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC NameN-[[3-(difluoromethyl)phenyl]methyl]-2,6-dimethylpyridin-3-amine
SMILESCc1ccc(NCc2cccc(C(F)F)c2)c(C)n1
InChIInChI=1S/C15H16F2N2/c1-10-6-7-14(11(2)19-10)18-9-12-4-3-5-13(8-12)15(16)17/h3-8,15,18H,9H2,1-2H3
InChIKeyNYOFMAMGQYICCN-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(difluoromethyl)phenyl]methyl]-6-methylpyridin-3-amine
CID 115526695
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline
CID 115525992
2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline
CID 107630813
N-[[3-(difluoromethyl)phenyl]methyl]-2,4,5-trifluoroaniline
CID 115526484
N-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline
CID 115525983
N-[[3-(difluoromethyl)phenyl]methyl]-2-iodoaniline
CID 113328691
1-N-[[3-(difluoromethyl)phenyl]methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115526242
3-[[3-(difluoromethyl)phenyl]methylamino]-2-methylbenzoic acid
CID 115526266
2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline
CID 115526003
5-bromo-N-[[3-(difluoromethyl)phenyl]methyl]-2-fluoroaniline
CID 115526124
N-[[3-(difluoromethyl)phenyl]methyl]prop-2-yn-1-amine
CID 115525876
N-[[3-(difluoromethyl)phenyl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 115526384

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2,6-dimethylpyridin-3-amine?
The IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2,6-dimethylpyridin-3-amine (CID 115526620) is N-[[3-(difluoromethyl)phenyl]methyl]-2,6-dimethylpyridin-3-amine.
What is the SMILES notation for N-[[3-(difluoromethyl)phenyl]methyl]-2,6-dimethylpyridin-3-amine?
The canonical SMILES for N-[[3-(difluoromethyl)phenyl]methyl]-2,6-dimethylpyridin-3-amine is Cc1ccc(NCc2cccc(C(F)F)c2)c(C)n1.
What is the InChIKey of N-[[3-(difluoromethyl)phenyl]methyl]-2,6-dimethylpyridin-3-amine?
The InChIKey is NYOFMAMGQYICCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-10-6-7-14(11(2)19-10)18-9-12-4-3-5-13(8-12)15(16)17/h3-8,15,18H,9H2,1-2H3.
What are the key properties of N-[[3-(difluoromethyl)phenyl]methyl]-2,6-dimethylpyridin-3-amine?
N-[[3-(difluoromethyl)phenyl]methyl]-2,6-dimethylpyridin-3-amine has a molecular weight of 262.30 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)phenyl]methyl]-2,6-dimethylpyridin-3-amine is sourced from PubChem (CID 115526620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).