N-[2-[(5-bromo-3-chloro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine

C13H20BrClN2O — CID 103583744

IUPACN-[2-[(5-bromo-3-chloro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCOc1ncc(Br)cc1Cl)C(C)C
InChIInChI=1S/C13H20BrClN2O/c1-9(2)17(10(3)4)5-6-18-13-12(15)7-11(14)8-16-13/h7-10H,5-6H2,1-4H3
InChIKeyRWSCPLFDIRUKOK-UHFFFAOYSA-N
MW335.67 g/mol
LogP4.00
Rot. Bonds6

About N-[2-[(5-bromo-3-chloro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[(5-bromo-3-chloro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 103583744) has the molecular formula C13H20BrClN2O and a molecular weight of 335.67 g/mol. Its IUPAC name is N-[2-[(5-bromo-3-chloro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[(5-bromo-3-chloro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID103583744
Molecular FormulaC13H20BrClN2O
Molecular Weight335.67 g/mol
Exact Mass334.04
IUPAC NameN-[2-[(5-bromo-3-chloro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCOc1ncc(Br)cc1Cl)C(C)C
InChIInChI=1S/C13H20BrClN2O/c1-9(2)17(10(3)4)5-6-18-13-12(15)7-11(14)8-16-13/h7-10H,5-6H2,1-4H3
InChIKeyRWSCPLFDIRUKOK-UHFFFAOYSA-N
XLogP4.00
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.67
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxylic acid
CID 115505424
5-bromo-3-chloro-2-ethoxypyridine
CID 71303680
5-bromo-N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine
CID 103584128
(5-bromo-3-chloro-2-pyridinyl) ethanesulfonate
CID 118080132
N-[2-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 114921341
5-bromo-3-chloro-2-[(1-methylcyclopropyl)methoxy]pyridine
CID 118193954
3-[(5-bromo-3-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 103582964
N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 83268152
5-amino-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carbonitrile
CID 103469781
5-bromo-3-chloro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
CID 103583728
5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxamide
CID 115505405
5-bromo-3-chloro-2-[[4-(difluoromethyl)phenyl]methoxy]pyridine
CID 171814189

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-3-chloro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[(5-bromo-3-chloro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine (CID 103583744) is N-[2-[(5-bromo-3-chloro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[(5-bromo-3-chloro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[(5-bromo-3-chloro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCOc1ncc(Br)cc1Cl)C(C)C.
What is the InChIKey of N-[2-[(5-bromo-3-chloro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is RWSCPLFDIRUKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrClN2O/c1-9(2)17(10(3)4)5-6-18-13-12(15)7-11(14)8-16-13/h7-10H,5-6H2,1-4H3.
What are the key properties of N-[2-[(5-bromo-3-chloro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[(5-bromo-3-chloro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 335.67 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-3-chloro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 103583744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).