5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine

C10H14BrClN2 — CID 114869917

IUPAC5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine
SMILESCc1cc(N(C)CC(C)Cl)ncc1Br
InChIInChI=1S/C10H14BrClN2/c1-7-4-10(13-5-9(7)11)14(3)6-8(2)12/h4-5,8H,6H2,1-3H3
InChIKeyRFHYUPMMEPQBEQ-UHFFFAOYSA-N
MW277.59 g/mol
LogP3.22
Rot. Bonds3

About 5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine

5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine (PubChem CID 114869917) has the molecular formula C10H14BrClN2 and a molecular weight of 277.59 g/mol. Its IUPAC name is 5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine
PubChem CID114869917
Molecular FormulaC10H14BrClN2
Molecular Weight277.59 g/mol
Exact Mass276.00
IUPAC Name5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine
SMILESCc1cc(N(C)CC(C)Cl)ncc1Br
InChIInChI=1S/C10H14BrClN2/c1-7-4-10(13-5-9(7)11)14(3)6-8(2)12/h4-5,8H,6H2,1-3H3
InChIKeyRFHYUPMMEPQBEQ-UHFFFAOYSA-N
XLogP3.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.59
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-2-methylpropanenitrile
CID 115898860
5-bromo-N,4-dimethyl-N-(4-methylpentyl)pyridin-2-amine
CID 115147221
5-bromo-N-ethyl-N,4-dimethylpyridin-2-amine
CID 114870243
5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine
CID 114870004
N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114870363
5-bromo-N-(3,3-dimethylbutyl)-N,4-dimethylpyridin-2-amine
CID 115147222
2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 115773860
5-bromo-N-(3-bromopropyl)-4-methyl-N-propan-2-ylpyridin-2-amine
CID 114869981
5-bromo-N-(cyclopentylmethyl)-N,4-dimethylpyridin-2-amine
CID 114870435
5-bromo-N-[(2,4-dimethylphenyl)methyl]-N,4-dimethylpyridin-2-amine
CID 115147167
5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine
CID 115147028
2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide
CID 115773945

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine (CID 114869917) is 5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine is Cc1cc(N(C)CC(C)Cl)ncc1Br.
What is the InChIKey of 5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine?
The InChIKey is RFHYUPMMEPQBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2/c1-7-4-10(13-5-9(7)11)14(3)6-8(2)12/h4-5,8H,6H2,1-3H3.
What are the key properties of 5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine?
5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine has a molecular weight of 277.59 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine is sourced from PubChem (CID 114869917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).