1-(2,3-dichlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine

C14H14Cl2N2 — CID 63305367

IUPAC1-(2,3-dichlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
SMILESCc1cccnc1CNCc1cccc(Cl)c1Cl
InChIInChI=1S/C14H14Cl2N2/c1-10-4-3-7-18-13(10)9-17-8-11-5-2-6-12(15)14(11)16/h2-7,17H,8-9H2,1H3
InChIKeyHIBWLVAAIQUOTG-UHFFFAOYSA-N
MW281.19 g/mol
LogP3.99
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine

1-(2,3-dichlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine (PubChem CID 63305367) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
PubChem CID63305367
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name1-(2,3-dichlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
SMILESCc1cccnc1CNCc1cccc(Cl)c1Cl
InChIInChI=1S/C14H14Cl2N2/c1-10-4-3-7-18-13(10)9-17-8-11-5-2-6-12(15)14(11)16/h2-7,17H,8-9H2,1H3
InChIKeyHIBWLVAAIQUOTG-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine (CID 63305367) is 1-(2,3-dichlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine is Cc1cccnc1CNCc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The InChIKey is HIBWLVAAIQUOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-10-4-3-7-18-13(10)9-17-8-11-5-2-6-12(15)14(11)16/h2-7,17H,8-9H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
1-(2,3-dichlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine has a molecular weight of 281.19 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 63305367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).