6-[[benzyl(propan-2-yl)amino]methyl]-5-chloropyridin-2-amine

C16H20ClN3 — CID 62890943

IUPAC6-[[benzyl(propan-2-yl)amino]methyl]-5-chloropyridin-2-amine
SMILESCC(C)N(Cc1ccccc1)Cc1nc(N)ccc1Cl
InChIInChI=1S/C16H20ClN3/c1-12(2)20(10-13-6-4-3-5-7-13)11-15-14(17)8-9-16(18)19-15/h3-9,12H,10-11H2,1-2H3,(H2,18,19)
InChIKeyLIEOKHOXIWYFGE-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.73
Rot. Bonds5

About 6-[[benzyl(propan-2-yl)amino]methyl]-5-chloropyridin-2-amine

6-[[benzyl(propan-2-yl)amino]methyl]-5-chloropyridin-2-amine (PubChem CID 62890943) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-[[benzyl(propan-2-yl)amino]methyl]-5-chloropyridin-2-amine.

Molecular Properties

Compound Name6-[[benzyl(propan-2-yl)amino]methyl]-5-chloropyridin-2-amine
PubChem CID62890943
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-[[benzyl(propan-2-yl)amino]methyl]-5-chloropyridin-2-amine
SMILESCC(C)N(Cc1ccccc1)Cc1nc(N)ccc1Cl
InChIInChI=1S/C16H20ClN3/c1-12(2)20(10-13-6-4-3-5-7-13)11-15-14(17)8-9-16(18)19-15/h3-9,12H,10-11H2,1-2H3,(H2,18,19)
InChIKeyLIEOKHOXIWYFGE-UHFFFAOYSA-N
XLogP3.73
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[benzyl(propan-2-yl)amino]methyl]-5-chloropyridin-2-amine?
The IUPAC name of 6-[[benzyl(propan-2-yl)amino]methyl]-5-chloropyridin-2-amine (CID 62890943) is 6-[[benzyl(propan-2-yl)amino]methyl]-5-chloropyridin-2-amine.
What is the SMILES notation for 6-[[benzyl(propan-2-yl)amino]methyl]-5-chloropyridin-2-amine?
The canonical SMILES for 6-[[benzyl(propan-2-yl)amino]methyl]-5-chloropyridin-2-amine is CC(C)N(Cc1ccccc1)Cc1nc(N)ccc1Cl.
What is the InChIKey of 6-[[benzyl(propan-2-yl)amino]methyl]-5-chloropyridin-2-amine?
The InChIKey is LIEOKHOXIWYFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-12(2)20(10-13-6-4-3-5-7-13)11-15-14(17)8-9-16(18)19-15/h3-9,12H,10-11H2,1-2H3,(H2,18,19).
What are the key properties of 6-[[benzyl(propan-2-yl)amino]methyl]-5-chloropyridin-2-amine?
6-[[benzyl(propan-2-yl)amino]methyl]-5-chloropyridin-2-amine has a molecular weight of 289.81 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[benzyl(propan-2-yl)amino]methyl]-5-chloropyridin-2-amine is sourced from PubChem (CID 62890943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).