1-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine

C15H18BrN3 — CID 43563265

IUPAC1-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1cccnc1)C(CN)c1ccccc1Br
InChIInChI=1S/C15H18BrN3/c1-19(11-12-5-4-8-18-10-12)15(9-17)13-6-2-3-7-14(13)16/h2-8,10,15H,9,11,17H2,1H3
InChIKeySHBNIYVSUFYJCH-UHFFFAOYSA-N
MW320.23 g/mol
LogP2.98
Rot. Bonds5

About 1-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine

1-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine (PubChem CID 43563265) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
PubChem CID43563265
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name1-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1cccnc1)C(CN)c1ccccc1Br
InChIInChI=1S/C15H18BrN3/c1-19(11-12-5-4-8-18-10-12)15(9-17)13-6-2-3-7-14(13)16/h2-8,10,15H,9,11,17H2,1H3
InChIKeySHBNIYVSUFYJCH-UHFFFAOYSA-N
XLogP2.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine
CID 24694407
1-(4,5-dibromofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62085053
1-(3-bromothiophen-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 115380316
1-(1-benzothiophen-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62698310
1-(2-bromophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62628732
N-methyl-1-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563212
N-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986235
1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61417147
2-N,3,3-trimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 61324757
1-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563267
N'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693386
N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine (CID 43563265) is 1-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine is CN(Cc1cccnc1)C(CN)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is SHBNIYVSUFYJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-19(11-12-5-4-8-18-10-12)15(9-17)13-6-2-3-7-14(13)16/h2-8,10,15H,9,11,17H2,1H3.
What are the key properties of 1-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine?
1-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 320.23 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 43563265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).