3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-phenylpyridin-2-amine

C18H15Cl2N3 — CID 10308853

IUPAC3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-phenylpyridin-2-amine
SMILESNCc1c(-c2ccc(Cl)cc2Cl)cc(-c2ccccc2)nc1N
InChIInChI=1S/C18H15Cl2N3/c19-12-6-7-13(16(20)8-12)14-9-17(11-4-2-1-3-5-11)23-18(22)15(14)10-21/h1-9H,10,21H2,(H2,22,23)
InChIKeyIMKQEMHOYYTGRT-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.76
Rot. Bonds3

About 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-phenylpyridin-2-amine

3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-phenylpyridin-2-amine (PubChem CID 10308853) has the molecular formula C18H15Cl2N3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-phenylpyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-phenylpyridin-2-amine
PubChem CID10308853
Molecular FormulaC18H15Cl2N3
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-phenylpyridin-2-amine
SMILESNCc1c(-c2ccc(Cl)cc2Cl)cc(-c2ccccc2)nc1N
InChIInChI=1S/C18H15Cl2N3/c19-12-6-7-13(16(20)8-12)14-9-17(11-4-2-1-3-5-11)23-18(22)15(14)10-21/h1-9H,10,21H2,(H2,22,23)
InChIKeyIMKQEMHOYYTGRT-UHFFFAOYSA-N
XLogP4.76
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-phenylpyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-phenylpyridin-2-amine (CID 10308853) is 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-phenylpyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-phenylpyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-phenylpyridin-2-amine is NCc1c(-c2ccc(Cl)cc2Cl)cc(-c2ccccc2)nc1N.
What is the InChIKey of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-phenylpyridin-2-amine?
The InChIKey is IMKQEMHOYYTGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3/c19-12-6-7-13(16(20)8-12)14-9-17(11-4-2-1-3-5-11)23-18(22)15(14)10-21/h1-9H,10,21H2,(H2,22,23).
What are the key properties of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-phenylpyridin-2-amine?
3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-phenylpyridin-2-amine has a molecular weight of 344.25 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-phenylpyridin-2-amine is sourced from PubChem (CID 10308853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).