N-[[5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]ethanamine

C16H20BrN3O — CID 103175461

IUPACN-[[5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Br)cnc1Oc1ccc(C)nc1CC
InChIInChI=1S/C16H20BrN3O/c1-4-14-15(7-6-11(3)20-14)21-16-12(9-18-5-2)8-13(17)10-19-16/h6-8,10,18H,4-5,9H2,1-3H3
InChIKeyOZNSICMVSFRZAS-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.01
Rot. Bonds6

About N-[[5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]ethanamine

N-[[5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]ethanamine (PubChem CID 103175461) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is N-[[5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]ethanamine
PubChem CID103175461
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC NameN-[[5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Br)cnc1Oc1ccc(C)nc1CC
InChIInChI=1S/C16H20BrN3O/c1-4-14-15(7-6-11(3)20-14)21-16-12(9-18-5-2)8-13(17)10-19-16/h6-8,10,18H,4-5,9H2,1-3H3
InChIKeyOZNSICMVSFRZAS-UHFFFAOYSA-N
XLogP4.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62672744
N-[[5-bromo-2-(2,3-dimethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296755
N-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 103175513
N-[[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 83134584
3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine
CID 103175419
N-[[5-bromo-2-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63489696
N-[[3-[(5-bromo-2-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79157307
N-[[5-bromo-2-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 63878321
N-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82831389
N-[[5-bromo-2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]ethanamine
CID 106205348
5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine
CID 103174438
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125248

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]ethanamine (CID 103175461) is N-[[5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]ethanamine is CCNCc1cc(Br)cnc1Oc1ccc(C)nc1CC.
What is the InChIKey of N-[[5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]ethanamine?
The InChIKey is OZNSICMVSFRZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-4-14-15(7-6-11(3)20-14)21-16-12(9-18-5-2)8-13(17)10-19-16/h6-8,10,18H,4-5,9H2,1-3H3.
What are the key properties of N-[[5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]ethanamine?
N-[[5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]ethanamine has a molecular weight of 350.26 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 103175461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).