5-bromo-4-N-[2-(3-methylphenyl)ethyl]pyridine-3,4-diamine

C14H16BrN3 — CID 103518035

IUPAC5-bromo-4-N-[2-(3-methylphenyl)ethyl]pyridine-3,4-diamine
SMILESCc1cccc(CCNc2c(N)cncc2Br)c1
InChIInChI=1S/C14H16BrN3/c1-10-3-2-4-11(7-10)5-6-18-14-12(15)8-17-9-13(14)16/h2-4,7-9H,5-6,16H2,1H3,(H,17,18)
InChIKeyBDZWIXHPCDTEBB-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.39
Rot. Bonds4

About 5-bromo-4-N-[2-(3-methylphenyl)ethyl]pyridine-3,4-diamine

5-bromo-4-N-[2-(3-methylphenyl)ethyl]pyridine-3,4-diamine (PubChem CID 103518035) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 5-bromo-4-N-[2-(3-methylphenyl)ethyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[2-(3-methylphenyl)ethyl]pyridine-3,4-diamine
PubChem CID103518035
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name5-bromo-4-N-[2-(3-methylphenyl)ethyl]pyridine-3,4-diamine
SMILESCc1cccc(CCNc2c(N)cncc2Br)c1
InChIInChI=1S/C14H16BrN3/c1-10-3-2-4-11(7-10)5-6-18-14-12(15)8-17-9-13(14)16/h2-4,7-9H,5-6,16H2,1H3,(H,17,18)
InChIKeyBDZWIXHPCDTEBB-UHFFFAOYSA-N
XLogP3.39
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine
CID 115125852
5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine
CID 62314086
6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine
CID 115474071
5-bromo-2-hydrazinyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 80908067
4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine
CID 106750720
6-N-methyl-2-N-[2-(3-methylphenyl)ethyl]pyrazine-2,6-diamine
CID 80826170
N-[2-(3-methylphenyl)ethyl]pyridin-4-amine
CID 62315390
6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine
CID 80647053
5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80826733
6-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 78989212
5-bromo-2-N-ethyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80826619
4,6-dimethyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-2-amine
CID 62313023

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[2-(3-methylphenyl)ethyl]pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-[2-(3-methylphenyl)ethyl]pyridine-3,4-diamine (CID 103518035) is 5-bromo-4-N-[2-(3-methylphenyl)ethyl]pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[2-(3-methylphenyl)ethyl]pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-[2-(3-methylphenyl)ethyl]pyridine-3,4-diamine is Cc1cccc(CCNc2c(N)cncc2Br)c1.
What is the InChIKey of 5-bromo-4-N-[2-(3-methylphenyl)ethyl]pyridine-3,4-diamine?
The InChIKey is BDZWIXHPCDTEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-10-3-2-4-11(7-10)5-6-18-14-12(15)8-17-9-13(14)16/h2-4,7-9H,5-6,16H2,1H3,(H,17,18).
What are the key properties of 5-bromo-4-N-[2-(3-methylphenyl)ethyl]pyridine-3,4-diamine?
5-bromo-4-N-[2-(3-methylphenyl)ethyl]pyridine-3,4-diamine has a molecular weight of 306.21 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[2-(3-methylphenyl)ethyl]pyridine-3,4-diamine is sourced from PubChem (CID 103518035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).