N-[[3-(difluoromethyl)phenyl]methyl]-6-methylpyridin-3-amine

C14H14F2N2 — CID 115526695

IUPACN-[[3-(difluoromethyl)phenyl]methyl]-6-methylpyridin-3-amine
SMILESCc1ccc(NCc2cccc(C(F)F)c2)cn1
InChIInChI=1S/C14H14F2N2/c1-10-5-6-13(9-17-10)18-8-11-3-2-4-12(7-11)14(15)16/h2-7,9,14,18H,8H2,1H3
InChIKeyKDJRITJEKBCXGS-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.94
Rot. Bonds4

About N-[[3-(difluoromethyl)phenyl]methyl]-6-methylpyridin-3-amine

N-[[3-(difluoromethyl)phenyl]methyl]-6-methylpyridin-3-amine (PubChem CID 115526695) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)phenyl]methyl]-6-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)phenyl]methyl]-6-methylpyridin-3-amine
PubChem CID115526695
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC NameN-[[3-(difluoromethyl)phenyl]methyl]-6-methylpyridin-3-amine
SMILESCc1ccc(NCc2cccc(C(F)F)c2)cn1
InChIInChI=1S/C14H14F2N2/c1-10-5-6-13(9-17-10)18-8-11-3-2-4-12(7-11)14(15)16/h2-7,9,14,18H,8H2,1H3
InChIKeyKDJRITJEKBCXGS-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(difluoromethyl)phenyl]methyl]-2,6-dimethylpyridin-3-amine
CID 115526620
N-[[3-(difluoromethyl)phenyl]methyl]-1H-indazol-5-amine
CID 115526186
N-[(3,5-dimethylphenyl)methyl]-6-methylpyridin-3-amine
CID 81497641
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline
CID 115525992
N-[[3-(difluoromethyl)phenyl]methyl]-2,4,5-trifluoroaniline
CID 115526484
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115525956
2-chloro-5-[[3-(difluoromethyl)phenyl]methylamino]benzoic acid
CID 115526263
3-[[3-(difluoromethyl)phenyl]methylamino]benzamide
CID 115526018
2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline
CID 107630813
N-[[3-(difluoromethyl)phenyl]methyl]-2-methylbutan-2-amine
CID 115525884
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115526259
N-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline
CID 115525983

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-6-methylpyridin-3-amine?
The IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-6-methylpyridin-3-amine (CID 115526695) is N-[[3-(difluoromethyl)phenyl]methyl]-6-methylpyridin-3-amine.
What is the SMILES notation for N-[[3-(difluoromethyl)phenyl]methyl]-6-methylpyridin-3-amine?
The canonical SMILES for N-[[3-(difluoromethyl)phenyl]methyl]-6-methylpyridin-3-amine is Cc1ccc(NCc2cccc(C(F)F)c2)cn1.
What is the InChIKey of N-[[3-(difluoromethyl)phenyl]methyl]-6-methylpyridin-3-amine?
The InChIKey is KDJRITJEKBCXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-10-5-6-13(9-17-10)18-8-11-3-2-4-12(7-11)14(15)16/h2-7,9,14,18H,8H2,1H3.
What are the key properties of N-[[3-(difluoromethyl)phenyl]methyl]-6-methylpyridin-3-amine?
N-[[3-(difluoromethyl)phenyl]methyl]-6-methylpyridin-3-amine has a molecular weight of 248.28 g/mol, XLogP of 3.94, 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]-6-methylpyridin-3-amine is sourced from PubChem (CID 115526695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).