6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine

C14H16BrN3 — CID 80755274

IUPAC6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(NCc2ccc(Br)cc2)n1
InChIInChI=1S/C14H16BrN3/c1-2-16-13-4-3-5-14(18-13)17-10-11-6-8-12(15)9-7-11/h3-9H,2,10H2,1H3,(H2,16,17,18)
InChIKeyHDALJCUNFLNDET-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.89
Rot. Bonds5

About 6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine

6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine (PubChem CID 80755274) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
PubChem CID80755274
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(NCc2ccc(Br)cc2)n1
InChIInChI=1S/C14H16BrN3/c1-2-16-13-4-3-5-14(18-13)17-10-11-6-8-12(15)9-7-11/h3-9H,2,10H2,1H3,(H2,16,17,18)
InChIKeyHDALJCUNFLNDET-UHFFFAOYSA-N
XLogP3.89
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80805276
2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 80791291
2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 80771478
6-N-[(4-ethylphenyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106900926
2-N-[(4-bromophenyl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80755206
2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80754839
6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine
CID 80761080
6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80759261
6-N-[(4-bromophenyl)methyl]pyridine-2,3,6-triamine
CID 79823347
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80941793
6-N-[(4-propan-2-ylphenyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80793098
6-N-[(2-chlorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80785211

Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine?
The IUPAC name of 6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine (CID 80755274) is 6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine is CCNc1cccc(NCc2ccc(Br)cc2)n1.
What is the InChIKey of 6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine?
The InChIKey is HDALJCUNFLNDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-2-16-13-4-3-5-14(18-13)17-10-11-6-8-12(15)9-7-11/h3-9H,2,10H2,1H3,(H2,16,17,18).
What are the key properties of 6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine?
6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine has a molecular weight of 306.21 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine is sourced from PubChem (CID 80755274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).