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

C14H16ClN3 — CID 80785211

IUPAC6-N-[(2-chlorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(NCc2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3/c1-2-16-13-8-5-9-14(18-13)17-10-11-6-3-4-7-12(11)15/h3-9H,2,10H2,1H3,(H2,16,17,18)
InChIKeyBSNIQXYCBVUIHN-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.78
Rot. Bonds5

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

6-N-[(2-chlorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine (PubChem CID 80785211) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 6-N-[(2-chlorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(2-chlorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
PubChem CID80785211
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name6-N-[(2-chlorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(NCc2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3/c1-2-16-13-8-5-9-14(18-13)17-10-11-6-3-4-7-12(11)15/h3-9H,2,10H2,1H3,(H2,16,17,18)
InChIKeyBSNIQXYCBVUIHN-UHFFFAOYSA-N
XLogP3.78
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-N-[(2-chlorophenyl)methyl]-2-N-ethylpyridine-2,6-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

4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine
CID 80784844
4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80784846
6-chloro-2-N-[(2-chlorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80786435
6-[(2-chlorophenyl)methoxymethyl]-N-ethylpyridin-2-amine
CID 79239525
4-N-[(2-chlorophenyl)methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80786647
2-N-tert-butyl-4-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891673
4-N-[(2-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80786750
N-[(2-chlorophenyl)methyl]-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946742
4-N-[(2-chlorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933100
2-N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2,5-diamine
CID 43261047
5-chloro-6-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine
CID 62892052
6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 103481895

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-chlorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine?
The IUPAC name of 6-N-[(2-chlorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine (CID 80785211) is 6-N-[(2-chlorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(2-chlorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[(2-chlorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine is CCNc1cccc(NCc2ccccc2Cl)n1.
What is the InChIKey of 6-N-[(2-chlorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine?
The InChIKey is BSNIQXYCBVUIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-2-16-13-8-5-9-14(18-13)17-10-11-6-3-4-7-12(11)15/h3-9H,2,10H2,1H3,(H2,16,17,18).
What are the key properties of 6-N-[(2-chlorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine?
6-N-[(2-chlorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine has a molecular weight of 261.76 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-chlorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine is sourced from PubChem (CID 80785211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).