N-[(3,4-dichlorophenyl)methyl]-1-(4-pyrimidin-2-ylphenyl)methanamine

C18H15Cl2N3 — CID 155530901

IUPACN-[(3,4-dichlorophenyl)methyl]-1-(4-pyrimidin-2-ylphenyl)methanamine
SMILESClc1ccc(CNCc2ccc(-c3ncccn3)cc2)cc1Cl
InChIInChI=1S/C18H15Cl2N3/c19-16-7-4-14(10-17(16)20)12-21-11-13-2-5-15(6-3-13)18-22-8-1-9-23-18/h1-10,21H,11-12H2
InChIKeyQONCZAUZVFSZQX-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.74
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-1-(4-pyrimidin-2-ylphenyl)methanamine

N-[(3,4-dichlorophenyl)methyl]-1-(4-pyrimidin-2-ylphenyl)methanamine (PubChem CID 155530901) has the molecular formula C18H15Cl2N3 and a molecular weight of 344.25 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-1-(4-pyrimidin-2-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-1-(4-pyrimidin-2-ylphenyl)methanamine
PubChem CID155530901
Molecular FormulaC18H15Cl2N3
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-1-(4-pyrimidin-2-ylphenyl)methanamine
SMILESClc1ccc(CNCc2ccc(-c3ncccn3)cc2)cc1Cl
InChIInChI=1S/C18H15Cl2N3/c19-16-7-4-14(10-17(16)20)12-21-11-13-2-5-15(6-3-13)18-22-8-1-9-23-18/h1-10,21H,11-12H2
InChIKeyQONCZAUZVFSZQX-UHFFFAOYSA-N
XLogP4.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-(4-pyrimidin-2-ylphenyl)methanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-(4-pyrimidin-2-ylphenyl)methanamine (CID 155530901) is N-[(3,4-dichlorophenyl)methyl]-1-(4-pyrimidin-2-ylphenyl)methanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-1-(4-pyrimidin-2-ylphenyl)methanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-1-(4-pyrimidin-2-ylphenyl)methanamine is Clc1ccc(CNCc2ccc(-c3ncccn3)cc2)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-1-(4-pyrimidin-2-ylphenyl)methanamine?
The InChIKey is QONCZAUZVFSZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3/c19-16-7-4-14(10-17(16)20)12-21-11-13-2-5-15(6-3-13)18-22-8-1-9-23-18/h1-10,21H,11-12H2.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-1-(4-pyrimidin-2-ylphenyl)methanamine?
N-[(3,4-dichlorophenyl)methyl]-1-(4-pyrimidin-2-ylphenyl)methanamine has a molecular weight of 344.25 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-1-(4-pyrimidin-2-ylphenyl)methanamine is sourced from PubChem (CID 155530901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).