N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine

C14H14BrClN2 — CID 114836690

IUPACN-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine
SMILESCCN(Cc1ccccc1)c1ncc(Cl)cc1Br
InChIInChI=1S/C14H14BrClN2/c1-2-18(10-11-6-4-3-5-7-11)14-13(15)8-12(16)9-17-14/h3-9H,2,10H2,1H3
InChIKeyFCVUNQYZPJQCMA-UHFFFAOYSA-N
MW325.64 g/mol
LogP4.52
Rot. Bonds4

About N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine

N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine (PubChem CID 114836690) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine
PubChem CID114836690
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC NameN-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine
SMILESCCN(Cc1ccccc1)c1ncc(Cl)cc1Br
InChIInChI=1S/C14H14BrClN2/c1-2-18(10-11-6-4-3-5-7-11)14-13(15)8-12(16)9-17-14/h3-9H,2,10H2,1H3
InChIKeyFCVUNQYZPJQCMA-UHFFFAOYSA-N
XLogP4.52
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.64
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine
CID 79532190
6-[benzyl(ethyl)amino]-5-bromopyridine-3-carboxylic acid
CID 84610251
2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine
CID 79531545
2-[(3-bromo-5-chloro-2-pyridinyl)-ethylamino]acetamide
CID 103103965
2-N-benzyl-2-N-ethyl-3-methylpyridine-2,5-diamine
CID 55080686
3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 114836684
4-N-benzyl-5-bromo-4-N-ethylpyridine-2,4-diamine
CID 131227921
3-[(3-bromo-5-chloro-2-pyridinyl)-(pyridin-3-ylmethyl)amino]propanethioamide
CID 114835479
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylethane-1,2-diamine
CID 114838664
3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine
CID 114836698
5-acetamido-2-[benzyl(ethyl)amino]pyridine-3-carboxylic acid
CID 53093967
3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 114836813

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine?
The IUPAC name of N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine (CID 114836690) is N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine.
What is the SMILES notation for N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine?
The canonical SMILES for N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine is CCN(Cc1ccccc1)c1ncc(Cl)cc1Br.
What is the InChIKey of N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine?
The InChIKey is FCVUNQYZPJQCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2/c1-2-18(10-11-6-4-3-5-7-11)14-13(15)8-12(16)9-17-14/h3-9H,2,10H2,1H3.
What are the key properties of N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine?
N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine has a molecular weight of 325.64 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine is sourced from PubChem (CID 114836690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).