N-(2-bromoethyl)-6-methoxy-N-propylpyridin-2-amine

C11H17BrN2O — CID 80673734

IUPACN-(2-bromoethyl)-6-methoxy-N-propylpyridin-2-amine
SMILESCCCN(CCBr)c1cccc(OC)n1
InChIInChI=1S/C11H17BrN2O/c1-3-8-14(9-7-12)10-5-4-6-11(13-10)15-2/h4-6H,3,7-9H2,1-2H3
InChIKeyNXBNEBXAZTXCHK-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.70
Rot. Bonds6

About N-(2-bromoethyl)-6-methoxy-N-propylpyridin-2-amine

N-(2-bromoethyl)-6-methoxy-N-propylpyridin-2-amine (PubChem CID 80673734) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is N-(2-bromoethyl)-6-methoxy-N-propylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-6-methoxy-N-propylpyridin-2-amine
PubChem CID80673734
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC NameN-(2-bromoethyl)-6-methoxy-N-propylpyridin-2-amine
SMILESCCCN(CCBr)c1cccc(OC)n1
InChIInChI=1S/C11H17BrN2O/c1-3-8-14(9-7-12)10-5-4-6-11(13-10)15-2/h4-6H,3,7-9H2,1-2H3
InChIKeyNXBNEBXAZTXCHK-UHFFFAOYSA-N
XLogP2.70
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(6-methoxy-2-pyridinyl)-N-methyl-N'-propylethane-1,2-diamine
CID 63587227
N,N-diethyl-6-methoxypyridin-2-amine
CID 118576477
N-(2-bromoethyl)-N-cyclopropyl-6-methoxypyridin-2-amine
CID 80667350
N-(2-bromoethyl)-N-cyclobutyl-6-methoxypyridin-2-amine
CID 102871547
3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanethioamide
CID 63591440
N-(azetidin-3-yl)-6-methoxy-N-propylpyridin-2-amine
CID 66214329
1-[ethyl-(6-methoxy-2-pyridinyl)amino]-2-methylpropan-2-ol
CID 79390079
N-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 63985137
methyl 2-[(2-methoxy-2-oxoethyl)-(6-methoxy-2-pyridinyl)amino]acetate
CID 63588742
N-(2-bromoethyl)-N-butyl-4-methoxypyrimidin-2-amine
CID 80668756
N'-(6-methoxy-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 63590609
2-[butyl-(6-ethoxy-2-pyridinyl)amino]ethanol
CID 55212591

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-6-methoxy-N-propylpyridin-2-amine?
The IUPAC name of N-(2-bromoethyl)-6-methoxy-N-propylpyridin-2-amine (CID 80673734) is N-(2-bromoethyl)-6-methoxy-N-propylpyridin-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-6-methoxy-N-propylpyridin-2-amine?
The canonical SMILES for N-(2-bromoethyl)-6-methoxy-N-propylpyridin-2-amine is CCCN(CCBr)c1cccc(OC)n1.
What is the InChIKey of N-(2-bromoethyl)-6-methoxy-N-propylpyridin-2-amine?
The InChIKey is NXBNEBXAZTXCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-3-8-14(9-7-12)10-5-4-6-11(13-10)15-2/h4-6H,3,7-9H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-6-methoxy-N-propylpyridin-2-amine?
N-(2-bromoethyl)-6-methoxy-N-propylpyridin-2-amine has a molecular weight of 273.17 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-6-methoxy-N-propylpyridin-2-amine is sourced from PubChem (CID 80673734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).