6-chloro-2-N-ethyl-2-N-(4-methylphenyl)pyridine-2,3-diamine

C14H16ClN3 — CID 115474047

IUPAC6-chloro-2-N-ethyl-2-N-(4-methylphenyl)pyridine-2,3-diamine
SMILESCCN(c1ccc(C)cc1)c1nc(Cl)ccc1N
InChIInChI=1S/C14H16ClN3/c1-3-18(11-6-4-10(2)5-7-11)14-12(16)8-9-13(15)17-14/h4-9H,3,16H2,1-2H3
InChIKeyMSMKBEXFDPHHHT-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.78
Rot. Bonds3

About 6-chloro-2-N-ethyl-2-N-(4-methylphenyl)pyridine-2,3-diamine

6-chloro-2-N-ethyl-2-N-(4-methylphenyl)pyridine-2,3-diamine (PubChem CID 115474047) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 6-chloro-2-N-ethyl-2-N-(4-methylphenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-ethyl-2-N-(4-methylphenyl)pyridine-2,3-diamine
PubChem CID115474047
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name6-chloro-2-N-ethyl-2-N-(4-methylphenyl)pyridine-2,3-diamine
SMILESCCN(c1ccc(C)cc1)c1nc(Cl)ccc1N
InChIInChI=1S/C14H16ClN3/c1-3-18(11-6-4-10(2)5-7-11)14-12(16)8-9-13(15)17-14/h4-9H,3,16H2,1-2H3
InChIKeyMSMKBEXFDPHHHT-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine
CID 115474017
6-chloro-2-N,2-N-bis(2-methylpropyl)pyridine-2,3-diamine
CID 113316760
5-chloro-2-N,4-N-diethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80817817
4-N-ethyl-4-N-(4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327021
4-N-ethyl-4-N-(4-methylphenyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 62003379
4-N-(4,6-dimethylpyrimidin-2-yl)-4-N-ethylbenzene-1,4-diamine
CID 2761111
6-chloro-2-N,4-N-diethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80817982
4-amino-3-(N-ethyl-4-methylanilino)benzenesulfonamide
CID 82900395
2-[(3-amino-6-chloro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 115473782
6-chloro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,3-diamine
CID 113316893
2-amino-5-(N-ethyl-4-methylanilino)benzonitrile
CID 115499366
3-N-ethyl-2-methyl-3-N-(4-methylphenyl)benzene-1,3-diamine
CID 63062743

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-ethyl-2-N-(4-methylphenyl)pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-ethyl-2-N-(4-methylphenyl)pyridine-2,3-diamine (CID 115474047) is 6-chloro-2-N-ethyl-2-N-(4-methylphenyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-ethyl-2-N-(4-methylphenyl)pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-ethyl-2-N-(4-methylphenyl)pyridine-2,3-diamine is CCN(c1ccc(C)cc1)c1nc(Cl)ccc1N.
What is the InChIKey of 6-chloro-2-N-ethyl-2-N-(4-methylphenyl)pyridine-2,3-diamine?
The InChIKey is MSMKBEXFDPHHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-3-18(11-6-4-10(2)5-7-11)14-12(16)8-9-13(15)17-14/h4-9H,3,16H2,1-2H3.
What are the key properties of 6-chloro-2-N-ethyl-2-N-(4-methylphenyl)pyridine-2,3-diamine?
6-chloro-2-N-ethyl-2-N-(4-methylphenyl)pyridine-2,3-diamine has a molecular weight of 261.76 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-ethyl-2-N-(4-methylphenyl)pyridine-2,3-diamine is sourced from PubChem (CID 115474047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).