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

C14H16ClN3 — CID 81131729

IUPAC2-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyridine-2,3-diamine
SMILESCc1ccc(N)c(N(C)Cc2cccc(Cl)c2)n1
InChIInChI=1S/C14H16ClN3/c1-10-6-7-13(16)14(17-10)18(2)9-11-4-3-5-12(15)8-11/h3-8H,9,16H2,1-2H3
InChIKeyFAUOZXNQWQYBQE-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.26
Rot. Bonds3

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

2-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyridine-2,3-diamine (PubChem CID 81131729) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 2-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyridine-2,3-diamine
PubChem CID81131729
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name2-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyridine-2,3-diamine
SMILESCc1ccc(N)c(N(C)Cc2cccc(Cl)c2)n1
InChIInChI=1S/C14H16ClN3/c1-10-6-7-13(16)14(17-10)18(2)9-11-4-3-5-12(15)8-11/h3-8H,9,16H2,1-2H3
InChIKeyFAUOZXNQWQYBQE-UHFFFAOYSA-N
XLogP3.26
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-benzyl-2-N,6-dimethylpyridine-2,3-diamine
CID 79020868
5-bromo-4-N-[(3-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794744
5-bromo-2-N-[(3-chlorophenyl)methyl]-2-N-methylpyridine-2,3-diamine
CID 61413712
4-N-[(3-chlorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80794023
2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine
CID 115473524
6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80646738
4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 28895019
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyridine-2,3-diamine
CID 61414258
5-chloro-N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80898727
3-chloro-1-N-[(3-chlorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834227
8-N-[(3-chlorophenyl)methyl]-8-N-methylquinoline-5,8-diamine
CID 61413478
5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794306

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyridine-2,3-diamine?
The IUPAC name of 2-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyridine-2,3-diamine (CID 81131729) is 2-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyridine-2,3-diamine?
The canonical SMILES for 2-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyridine-2,3-diamine is Cc1ccc(N)c(N(C)Cc2cccc(Cl)c2)n1.
What is the InChIKey of 2-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyridine-2,3-diamine?
The InChIKey is FAUOZXNQWQYBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10-6-7-13(16)14(17-10)18(2)9-11-4-3-5-12(15)8-11/h3-8H,9,16H2,1-2H3.
What are the key properties of 2-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyridine-2,3-diamine?
2-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyridine-2,3-diamine has a molecular weight of 261.76 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 81131729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).