6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine

C13H14ClN3 — CID 80646738

IUPAC6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine
SMILESCN(Cc1cccc(Cl)c1)c1cccc(N)n1
InChIInChI=1S/C13H14ClN3/c1-17(13-7-3-6-12(15)16-13)9-10-4-2-5-11(14)8-10/h2-8H,9H2,1H3,(H2,15,16)
InChIKeyOYSRZNWPQYROLR-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.95
Rot. Bonds3

About 6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine

6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine (PubChem CID 80646738) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine
PubChem CID80646738
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine
SMILESCN(Cc1cccc(Cl)c1)c1cccc(N)n1
InChIInChI=1S/C13H14ClN3/c1-17(13-7-3-6-12(15)16-13)9-10-4-2-5-11(14)8-10/h2-8H,9H2,1H3,(H2,15,16)
InChIKeyOYSRZNWPQYROLR-UHFFFAOYSA-N
XLogP2.95
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(chloromethyl)-N-[(3-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 62255532
4-N-[(3-chlorophenyl)methyl]-2-cyclopropyl-4-N-methylpyrimidine-4,6-diamine
CID 80960822
4-N-[(3-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564313
4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 28895019
2-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyridine-2,3-diamine
CID 81131729
6-(chloromethyl)-N-[(3-chlorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66465731
3-chloro-1-N-[(3-chlorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834227
N-[(3-chlorophenyl)methyl]-6-fluoro-N-methylpyrimidin-4-amine
CID 115416604
5-bromo-4-N-[(3-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794744
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 61413469
1-N-[(3-chlorophenyl)methyl]-2,6-difluoro-1-N-methylbenzene-1,4-diamine
CID 61413666
5-bromo-2-N-[(3-chlorophenyl)methyl]-2-N-methylpyridine-2,3-diamine
CID 61413712

Frequently Asked Questions

What is the IUPAC name of 6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine?
The IUPAC name of 6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine (CID 80646738) is 6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine is CN(Cc1cccc(Cl)c1)c1cccc(N)n1.
What is the InChIKey of 6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine?
The InChIKey is OYSRZNWPQYROLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-17(13-7-3-6-12(15)16-13)9-10-4-2-5-11(14)8-10/h2-8H,9H2,1H3,(H2,15,16).
What are the key properties of 6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine?
6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine has a molecular weight of 247.73 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 80646738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).