3-N-[(2-chloro-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine

C14H15ClFN3 — CID 103096855

IUPAC3-N-[(2-chloro-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCN(C)c1ncccc1NCc1ccc(F)cc1Cl
InChIInChI=1S/C14H15ClFN3/c1-19(2)14-13(4-3-7-17-14)18-9-10-5-6-11(16)8-12(10)15/h3-8,18H,9H2,1-2H3
InChIKeyPLEFDLFJKPLXJH-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.55
Rot. Bonds4

About 3-N-[(2-chloro-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine

3-N-[(2-chloro-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine (PubChem CID 103096855) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 3-N-[(2-chloro-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[(2-chloro-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
PubChem CID103096855
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name3-N-[(2-chloro-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCN(C)c1ncccc1NCc1ccc(F)cc1Cl
InChIInChI=1S/C14H15ClFN3/c1-19(2)14-13(4-3-7-17-14)18-9-10-5-6-11(16)8-12(10)15/h3-8,18H,9H2,1-2H3
InChIKeyPLEFDLFJKPLXJH-UHFFFAOYSA-N
XLogP3.55
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-N-[(2-chloro-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707640
3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 103275724
3-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707777
3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 55067063
2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]-5-methoxyphenol
CID 61263441
3-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707585
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 28586559
N-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyridin-3-amine
CID 114842458
3-N-[(3,4-dimethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43784216
N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79769585
5-bromo-2-chloro-N-[(2-chloro-4-fluorophenyl)methyl]pyridin-3-amine
CID 114064009
N-[(2-chloro-4-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 43217892

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-chloro-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The IUPAC name of 3-N-[(2-chloro-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine (CID 103096855) is 3-N-[(2-chloro-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-[(2-chloro-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The canonical SMILES for 3-N-[(2-chloro-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine is CN(C)c1ncccc1NCc1ccc(F)cc1Cl.
What is the InChIKey of 3-N-[(2-chloro-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The InChIKey is PLEFDLFJKPLXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-19(2)14-13(4-3-7-17-14)18-9-10-5-6-11(16)8-12(10)15/h3-8,18H,9H2,1-2H3.
What are the key properties of 3-N-[(2-chloro-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
3-N-[(2-chloro-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine has a molecular weight of 279.75 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-chloro-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 103096855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).