N-[[5-bromo-3-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine

C14H17BrN2OS — CID 112640482

IUPACN-[[5-bromo-3-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Br)cc(C)c1OCc1cncs1
InChIInChI=1S/C14H17BrN2OS/c1-3-16-6-11-5-12(15)4-10(2)14(11)18-8-13-7-17-9-19-13/h4-5,7,9,16H,3,6,8H2,1-2H3
InChIKeyODNBULOJKDVXFO-UHFFFAOYSA-N
MW341.27 g/mol
LogP3.90
Rot. Bonds6

About N-[[5-bromo-3-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine

N-[[5-bromo-3-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 112640482) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is N-[[5-bromo-3-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-bromo-3-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID112640482
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC NameN-[[5-bromo-3-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Br)cc(C)c1OCc1cncs1
InChIInChI=1S/C14H17BrN2OS/c1-3-16-6-11-5-12(15)4-10(2)14(11)18-8-13-7-17-9-19-13/h4-5,7,9,16H,3,6,8H2,1-2H3
InChIKeyODNBULOJKDVXFO-UHFFFAOYSA-N
XLogP3.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-bromo-3-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-bromo-2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115961197
N-[[5-bromo-2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 104796493
N-[[5-bromo-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 115961178
N-[[5-bromo-3-methyl-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 115961186
N-[[5-bromo-3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 115961239
N-[[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115961132
N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
CID 112640303
N-[[5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]ethanamine
CID 112620249
1-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]butan-2-ol
CID 112620164
1-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-2-methylbutan-2-ol
CID 114492362
N-[[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]ethanamine
CID 115961275
N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-methylphenyl]methyl]ethanamine
CID 103032918

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-3-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-bromo-3-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine (CID 112640482) is N-[[5-bromo-3-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-bromo-3-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-bromo-3-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine is CCNCc1cc(Br)cc(C)c1OCc1cncs1.
What is the InChIKey of N-[[5-bromo-3-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is ODNBULOJKDVXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-3-16-6-11-5-12(15)4-10(2)14(11)18-8-13-7-17-9-19-13/h4-5,7,9,16H,3,6,8H2,1-2H3.
What are the key properties of N-[[5-bromo-3-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine?
N-[[5-bromo-3-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 341.27 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-3-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 112640482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).