N-(2-bromoethyl)-N-cyclobutyl-6-methoxypyridin-2-amine

C12H17BrN2O — CID 102871547

IUPACN-(2-bromoethyl)-N-cyclobutyl-6-methoxypyridin-2-amine
SMILESCOc1cccc(N(CCBr)C2CCC2)n1
InChIInChI=1S/C12H17BrN2O/c1-16-12-7-3-6-11(14-12)15(9-8-13)10-4-2-5-10/h3,6-7,10H,2,4-5,8-9H2,1H3
InChIKeyRCBIANOEHZJEHA-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.84
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclobutyl-6-methoxypyridin-2-amine

N-(2-bromoethyl)-N-cyclobutyl-6-methoxypyridin-2-amine (PubChem CID 102871547) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclobutyl-6-methoxypyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclobutyl-6-methoxypyridin-2-amine
PubChem CID102871547
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC NameN-(2-bromoethyl)-N-cyclobutyl-6-methoxypyridin-2-amine
SMILESCOc1cccc(N(CCBr)C2CCC2)n1
InChIInChI=1S/C12H17BrN2O/c1-16-12-7-3-6-11(14-12)15(9-8-13)10-4-2-5-10/h3,6-7,10H,2,4-5,8-9H2,1H3
InChIKeyRCBIANOEHZJEHA-UHFFFAOYSA-N
XLogP2.84
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.84
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-(2-bromoethyl)-N-cyclopropyl-6-methoxypyridin-2-amine
CID 80667350
N-(2-bromoethyl)-6-methoxy-N-propylpyridin-2-amine
CID 80673734
N-(azetidin-3-yl)-6-methoxy-N-propylpyridin-2-amine
CID 66214329
N-(2-bromoethyl)-N-cyclopentylpyridin-2-amine
CID 80669086
N-(2-bromoethyl)-N-cyclopentyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 80669323
N-(2-bromoethyl)-N-cyclobutyl-5-methoxyisoquinolin-1-amine
CID 106543272
N-(2-bromoethyl)-N-cyclopentyl-6-propoxypyrazin-2-amine
CID 80670105
N,N-diethyl-6-methoxypyridin-2-amine
CID 118576477
N-cyclopropyl-6-ethoxy-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719364
2-[cyclobutyl-[(6-methoxy-2-pyridinyl)methyl]amino]ethanol
CID 102676529
N'-(6-methoxy-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 63590609
N-(2-chloroethyl)-N-cyclopentyl-4-methoxypyrimidin-2-amine
CID 63388459

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-6-methoxypyridin-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-6-methoxypyridin-2-amine (CID 102871547) is N-(2-bromoethyl)-N-cyclobutyl-6-methoxypyridin-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclobutyl-6-methoxypyridin-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-cyclobutyl-6-methoxypyridin-2-amine is COc1cccc(N(CCBr)C2CCC2)n1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclobutyl-6-methoxypyridin-2-amine?
The InChIKey is RCBIANOEHZJEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-16-12-7-3-6-11(14-12)15(9-8-13)10-4-2-5-10/h3,6-7,10H,2,4-5,8-9H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclobutyl-6-methoxypyridin-2-amine?
N-(2-bromoethyl)-N-cyclobutyl-6-methoxypyridin-2-amine has a molecular weight of 285.19 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclobutyl-6-methoxypyridin-2-amine is sourced from PubChem (CID 102871547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).