6-[[(2-bromophenyl)methyl-methylamino]methyl]-5-chloropyridin-2-amine

C14H15BrClN3 — CID 62891171

IUPAC6-[[(2-bromophenyl)methyl-methylamino]methyl]-5-chloropyridin-2-amine
SMILESCN(Cc1ccccc1Br)Cc1nc(N)ccc1Cl
InChIInChI=1S/C14H15BrClN3/c1-19(8-10-4-2-3-5-11(10)15)9-13-12(16)6-7-14(17)18-13/h2-7H,8-9H2,1H3,(H2,17,18)
InChIKeyCSJJZEWNKIVJJQ-UHFFFAOYSA-N
MW340.65 g/mol
LogP3.71
Rot. Bonds4

About 6-[[(2-bromophenyl)methyl-methylamino]methyl]-5-chloropyridin-2-amine

6-[[(2-bromophenyl)methyl-methylamino]methyl]-5-chloropyridin-2-amine (PubChem CID 62891171) has the molecular formula C14H15BrClN3 and a molecular weight of 340.65 g/mol. Its IUPAC name is 6-[[(2-bromophenyl)methyl-methylamino]methyl]-5-chloropyridin-2-amine.

Molecular Properties

Compound Name6-[[(2-bromophenyl)methyl-methylamino]methyl]-5-chloropyridin-2-amine
PubChem CID62891171
Molecular FormulaC14H15BrClN3
Molecular Weight340.65 g/mol
Exact Mass339.01
IUPAC Name6-[[(2-bromophenyl)methyl-methylamino]methyl]-5-chloropyridin-2-amine
SMILESCN(Cc1ccccc1Br)Cc1nc(N)ccc1Cl
InChIInChI=1S/C14H15BrClN3/c1-19(8-10-4-2-3-5-11(10)15)9-13-12(16)6-7-14(17)18-13/h2-7H,8-9H2,1H3,(H2,17,18)
InChIKeyCSJJZEWNKIVJJQ-UHFFFAOYSA-N
XLogP3.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2-bromophenyl)methyl-methylamino]methyl]-5-chloropyridin-2-amine?
The IUPAC name of 6-[[(2-bromophenyl)methyl-methylamino]methyl]-5-chloropyridin-2-amine (CID 62891171) is 6-[[(2-bromophenyl)methyl-methylamino]methyl]-5-chloropyridin-2-amine.
What is the SMILES notation for 6-[[(2-bromophenyl)methyl-methylamino]methyl]-5-chloropyridin-2-amine?
The canonical SMILES for 6-[[(2-bromophenyl)methyl-methylamino]methyl]-5-chloropyridin-2-amine is CN(Cc1ccccc1Br)Cc1nc(N)ccc1Cl.
What is the InChIKey of 6-[[(2-bromophenyl)methyl-methylamino]methyl]-5-chloropyridin-2-amine?
The InChIKey is CSJJZEWNKIVJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3/c1-19(8-10-4-2-3-5-11(10)15)9-13-12(16)6-7-14(17)18-13/h2-7H,8-9H2,1H3,(H2,17,18).
What are the key properties of 6-[[(2-bromophenyl)methyl-methylamino]methyl]-5-chloropyridin-2-amine?
6-[[(2-bromophenyl)methyl-methylamino]methyl]-5-chloropyridin-2-amine has a molecular weight of 340.65 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2-bromophenyl)methyl-methylamino]methyl]-5-chloropyridin-2-amine is sourced from PubChem (CID 62891171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).