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

C14H17BrN2OS — CID 63020469

IUPACN-[[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Br)c1OCc1cnc(C)s1
InChIInChI=1S/C14H17BrN2OS/c1-3-16-7-11-5-4-6-13(15)14(11)18-9-12-8-17-10(2)19-12/h4-6,8,16H,3,7,9H2,1-2H3
InChIKeyBYYBCWOXSMRQQC-UHFFFAOYSA-N
MW341.27 g/mol
LogP3.90
Rot. Bonds6

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

N-[[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 63020469) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is N-[[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID63020469
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC NameN-[[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Br)c1OCc1cnc(C)s1
InChIInChI=1S/C14H17BrN2OS/c1-3-16-7-11-5-4-6-13(15)14(11)18-9-12-8-17-10(2)19-12/h4-6,8,16H,3,7,9H2,1-2H3
InChIKeyBYYBCWOXSMRQQC-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

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Related Compounds

N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112609118
1-[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 63020144
N-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]ethanamine
CID 63498834
N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 62699145
N-[[3-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 61390087
N-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499927
N-[[3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 61390113
N-[(3-bromo-2-pentoxyphenyl)methyl]ethanamine
CID 55133993
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 61390059
N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 61390095
N-[[3-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63501536
[3-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanol
CID 63021172

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine (CID 63020469) is N-[[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine is CCNCc1cccc(Br)c1OCc1cnc(C)s1.
What is the InChIKey of N-[[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is BYYBCWOXSMRQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-3-16-7-11-5-4-6-13(15)14(11)18-9-12-8-17-10(2)19-12/h4-6,8,16H,3,7,9H2,1-2H3.
What are the key properties of N-[[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine?
N-[[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]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-[[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 63020469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).