N'-benzyl-N'-(3-bromo-2-pyridinyl)ethane-1,2-diamine

C14H16BrN3 — CID 61375800

IUPACN'-benzyl-N'-(3-bromo-2-pyridinyl)ethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)c1ncccc1Br
InChIInChI=1S/C14H16BrN3/c15-13-7-4-9-17-14(13)18(10-8-16)11-12-5-2-1-3-6-12/h1-7,9H,8,10-11,16H2
InChIKeyFSWKTAIZAZJFIY-UHFFFAOYSA-N
MW306.21 g/mol
LogP2.81
Rot. Bonds5

About N'-benzyl-N'-(3-bromo-2-pyridinyl)ethane-1,2-diamine

N'-benzyl-N'-(3-bromo-2-pyridinyl)ethane-1,2-diamine (PubChem CID 61375800) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is N'-benzyl-N'-(3-bromo-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(3-bromo-2-pyridinyl)ethane-1,2-diamine
PubChem CID61375800
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC NameN'-benzyl-N'-(3-bromo-2-pyridinyl)ethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)c1ncccc1Br
InChIInChI=1S/C14H16BrN3/c15-13-7-4-9-17-14(13)18(10-8-16)11-12-5-2-1-3-6-12/h1-7,9H,8,10-11,16H2
InChIKeyFSWKTAIZAZJFIY-UHFFFAOYSA-N
XLogP2.81
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-benzyl-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 62255300
N'-(3-bromo-2-pyridinyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
CID 107494126
N'-benzyl-N'-(3-fluoro-2-pyridinyl)propane-1,3-diamine
CID 107368121
N-benzyl-N-(2-bromoethyl)-3-fluoropyridin-2-amine
CID 80675173
N'-benzyl-N'-furo[3,2-c]pyridin-4-ylethane-1,2-diamine
CID 106535010
N-benzyl-N-(2-bromoethyl)-3-methylpyridin-2-amine
CID 80675179
N'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine
CID 114868985
3-bromo-N,N-diethylpyridin-2-amine
CID 61374664
N'-benzyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 62831676
3-bromo-N-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 61373185
2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine
CID 79531545
2-(dibenzylamino)pyridine-3-carboximidamide
CID 130157138

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(3-bromo-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-(3-bromo-2-pyridinyl)ethane-1,2-diamine (CID 61375800) is N'-benzyl-N'-(3-bromo-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-(3-bromo-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-(3-bromo-2-pyridinyl)ethane-1,2-diamine is NCCN(Cc1ccccc1)c1ncccc1Br.
What is the InChIKey of N'-benzyl-N'-(3-bromo-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is FSWKTAIZAZJFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c15-13-7-4-9-17-14(13)18(10-8-16)11-12-5-2-1-3-6-12/h1-7,9H,8,10-11,16H2.
What are the key properties of N'-benzyl-N'-(3-bromo-2-pyridinyl)ethane-1,2-diamine?
N'-benzyl-N'-(3-bromo-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 306.21 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(3-bromo-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 61375800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).