3-bromo-N-(2-chloroethyl)-5-methyl-N-propylpyridin-2-amine

C11H16BrClN2 — CID 105368683

IUPAC3-bromo-N-(2-chloroethyl)-5-methyl-N-propylpyridin-2-amine
SMILESCCCN(CCCl)c1ncc(C)cc1Br
InChIInChI=1S/C11H16BrClN2/c1-3-5-15(6-4-13)11-10(12)7-9(2)8-14-11/h7-8H,3-6H2,1-2H3
InChIKeyDLOKNUQSQWDOIY-UHFFFAOYSA-N
MW291.62 g/mol
LogP3.61
Rot. Bonds5

About 3-bromo-N-(2-chloroethyl)-5-methyl-N-propylpyridin-2-amine

3-bromo-N-(2-chloroethyl)-5-methyl-N-propylpyridin-2-amine (PubChem CID 105368683) has the molecular formula C11H16BrClN2 and a molecular weight of 291.62 g/mol. Its IUPAC name is 3-bromo-N-(2-chloroethyl)-5-methyl-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2-chloroethyl)-5-methyl-N-propylpyridin-2-amine
PubChem CID105368683
Molecular FormulaC11H16BrClN2
Molecular Weight291.62 g/mol
Exact Mass290.02
IUPAC Name3-bromo-N-(2-chloroethyl)-5-methyl-N-propylpyridin-2-amine
SMILESCCCN(CCCl)c1ncc(C)cc1Br
InChIInChI=1S/C11H16BrClN2/c1-3-5-15(6-4-13)11-10(12)7-9(2)8-14-11/h7-8H,3-6H2,1-2H3
InChIKeyDLOKNUQSQWDOIY-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

N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylethane-1,2-diamine
CID 114838664
3-bromo-5-methyl-N,N-bis(prop-2-enyl)pyridin-2-amine
CID 105367746
3-bromo-N-(2-chloroethyl)-4-methyl-N-propylpyridin-2-amine
CID 106878874
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylpropane-1,3-diamine
CID 114835420
5-bromo-N-(2-chloroethyl)-N-propylpyrimidin-2-amine
CID 63873651
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
CID 105368619
2-N-ethyl-5-methyl-2-N-propylpyridine-2,3-diamine
CID 66278862
ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate
CID 105368549
5-bromo-N-(2-chloroethyl)-N-ethylpyrimidin-4-amine
CID 66320500
ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)-propylamino]acetate
CID 114838168
3-bromo-N,5-dimethyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105367831
3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
CID 79534722

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloroethyl)-5-methyl-N-propylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(2-chloroethyl)-5-methyl-N-propylpyridin-2-amine (CID 105368683) is 3-bromo-N-(2-chloroethyl)-5-methyl-N-propylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2-chloroethyl)-5-methyl-N-propylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2-chloroethyl)-5-methyl-N-propylpyridin-2-amine is CCCN(CCCl)c1ncc(C)cc1Br.
What is the InChIKey of 3-bromo-N-(2-chloroethyl)-5-methyl-N-propylpyridin-2-amine?
The InChIKey is DLOKNUQSQWDOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2/c1-3-5-15(6-4-13)11-10(12)7-9(2)8-14-11/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-bromo-N-(2-chloroethyl)-5-methyl-N-propylpyridin-2-amine?
3-bromo-N-(2-chloroethyl)-5-methyl-N-propylpyridin-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-(2-chloroethyl)-5-methyl-N-propylpyridin-2-amine is sourced from PubChem (CID 105368683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).