3-bromo-N-(3-chloropropyl)-N-ethyl-4-methylpyridin-2-amine

C11H16BrClN2 — CID 106879048

IUPAC3-bromo-N-(3-chloropropyl)-N-ethyl-4-methylpyridin-2-amine
SMILESCCN(CCCCl)c1nccc(C)c1Br
InChIInChI=1S/C11H16BrClN2/c1-3-15(8-4-6-13)11-10(12)9(2)5-7-14-11/h5,7H,3-4,6,8H2,1-2H3
InChIKeyWBIWYJOMYOHFLW-UHFFFAOYSA-N
MW291.62 g/mol
LogP3.61
Rot. Bonds5

About 3-bromo-N-(3-chloropropyl)-N-ethyl-4-methylpyridin-2-amine

3-bromo-N-(3-chloropropyl)-N-ethyl-4-methylpyridin-2-amine (PubChem CID 106879048) has the molecular formula C11H16BrClN2 and a molecular weight of 291.62 g/mol. Its IUPAC name is 3-bromo-N-(3-chloropropyl)-N-ethyl-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(3-chloropropyl)-N-ethyl-4-methylpyridin-2-amine
PubChem CID106879048
Molecular FormulaC11H16BrClN2
Molecular Weight291.62 g/mol
Exact Mass290.02
IUPAC Name3-bromo-N-(3-chloropropyl)-N-ethyl-4-methylpyridin-2-amine
SMILESCCN(CCCCl)c1nccc(C)c1Br
InChIInChI=1S/C11H16BrClN2/c1-3-15(8-4-6-13)11-10(12)9(2)5-7-14-11/h5,7H,3-4,6,8H2,1-2H3
InChIKeyWBIWYJOMYOHFLW-UHFFFAOYSA-N
XLogP3.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N,N-diethyl-4-methylpyridin-2-amine
CID 106876527
3-bromo-N-(2-chloroethyl)-4-methyl-N-propylpyridin-2-amine
CID 106878874
1-[(3-bromo-4-methyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol
CID 106876362
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine
CID 106875251
3-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine
CID 107489338
N-[(2-aminophenyl)methyl]-3-bromo-4-methyl-N-propylpyridin-2-amine
CID 106876283
2-[(3-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 106876373
N'-(3-bromo-4-methyl-2-pyridinyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 106878733
3-bromo-N,4-dimethyl-N-(2-methylbutan-2-yl)pyridin-2-amine
CID 106877136
2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol
CID 106876368
3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine
CID 106876609
N'-(3-bromo-4-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 106878743

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-chloropropyl)-N-ethyl-4-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(3-chloropropyl)-N-ethyl-4-methylpyridin-2-amine (CID 106879048) is 3-bromo-N-(3-chloropropyl)-N-ethyl-4-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(3-chloropropyl)-N-ethyl-4-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(3-chloropropyl)-N-ethyl-4-methylpyridin-2-amine is CCN(CCCCl)c1nccc(C)c1Br.
What is the InChIKey of 3-bromo-N-(3-chloropropyl)-N-ethyl-4-methylpyridin-2-amine?
The InChIKey is WBIWYJOMYOHFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2/c1-3-15(8-4-6-13)11-10(12)9(2)5-7-14-11/h5,7H,3-4,6,8H2,1-2H3.
What are the key properties of 3-bromo-N-(3-chloropropyl)-N-ethyl-4-methylpyridin-2-amine?
3-bromo-N-(3-chloropropyl)-N-ethyl-4-methylpyridin-2-amine has a molecular weight of 291.62 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-chloropropyl)-N-ethyl-4-methylpyridin-2-amine is sourced from PubChem (CID 106879048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).