5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine

C14H15F2N3 — CID 43690440

IUPAC5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCN(C)c1ccc(NCc2ccc(F)cc2F)cn1
InChIInChI=1S/C14H15F2N3/c1-19(2)14-6-5-12(9-18-14)17-8-10-3-4-11(15)7-13(10)16/h3-7,9,17H,8H2,1-2H3
InChIKeyMOLUEVBXZPYXQI-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.04
Rot. Bonds4

About 5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine

5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine (PubChem CID 43690440) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
PubChem CID43690440
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCN(C)c1ccc(NCc2ccc(F)cc2F)cn1
InChIInChI=1S/C14H15F2N3/c1-19(2)14-6-5-12(9-18-14)17-8-10-3-4-11(15)7-13(10)16/h3-7,9,17H,8H2,1-2H3
InChIKeyMOLUEVBXZPYXQI-UHFFFAOYSA-N
XLogP3.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 103825883
1-N-[(2,4-difluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376832
5-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 54977767
N-[(2,4-difluorophenyl)methyl]-4-ethoxy-3-fluoroaniline
CID 115587219
N-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-4-amine
CID 43543559
2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylphenol
CID 112553810
N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 102609742
5-N-(2,2-dimethylpropyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 61325554
3,5-dichloro-N-[(2,4-difluorophenyl)methyl]-4-fluoroaniline
CID 107572844
4-N-[(2,4-difluorophenyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80821596
N-[(2,4-difluorophenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682594
5-N-(isoquinolin-5-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 62823715

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The IUPAC name of 5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine (CID 43690440) is 5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine is CN(C)c1ccc(NCc2ccc(F)cc2F)cn1.
What is the InChIKey of 5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The InChIKey is MOLUEVBXZPYXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-19(2)14-6-5-12(9-18-14)17-8-10-3-4-11(15)7-13(10)16/h3-7,9,17H,8H2,1-2H3.
What are the key properties of 5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine has a molecular weight of 263.29 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 43690440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).