N'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine

C16H20BrN3 — CID 3039937

IUPACN'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCN(C)CCN(Cc1cccc(Br)c1)c1ccccn1
InChIInChI=1S/C16H20BrN3/c1-19(2)10-11-20(16-8-3-4-9-18-16)13-14-6-5-7-15(17)12-14/h3-9,12H,10-11,13H2,1-2H3
InChIKeyDFSVTFVUTHOMSK-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.41
Rot. Bonds6

About N'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine

N'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine (PubChem CID 3039937) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is N'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
PubChem CID3039937
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC NameN'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCN(C)CCN(Cc1cccc(Br)c1)c1ccccn1
InChIInChI=1S/C16H20BrN3/c1-19(2)10-11-20(16-8-3-4-9-18-16)13-14-6-5-7-15(17)12-14/h3-9,12H,10-11,13H2,1-2H3
InChIKeyDFSVTFVUTHOMSK-UHFFFAOYSA-N
XLogP3.41
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine (CID 3039937) is N'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine is CN(C)CCN(Cc1cccc(Br)c1)c1ccccn1.
What is the InChIKey of N'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The InChIKey is DFSVTFVUTHOMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-19(2)10-11-20(16-8-3-4-9-18-16)13-14-6-5-7-15(17)12-14/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of N'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
N'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine has a molecular weight of 334.26 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 3039937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).