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

C15H20N2OS — CID 112609118

IUPACN-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(C)c1OCc1cnc(C)s1
InChIInChI=1S/C15H20N2OS/c1-4-16-8-13-7-5-6-11(2)15(13)18-10-14-9-17-12(3)19-14/h5-7,9,16H,4,8,10H2,1-3H3
InChIKeyZKKQMEFHYLTMRK-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.45
Rot. Bonds6

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

N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 112609118) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID112609118
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(C)c1OCc1cnc(C)s1
InChIInChI=1S/C15H20N2OS/c1-4-16-8-13-7-5-6-11(2)15(13)18-10-14-9-17-12(3)19-14/h5-7,9,16H,4,8,10H2,1-3H3
InChIKeyZKKQMEFHYLTMRK-UHFFFAOYSA-N
XLogP3.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 63020469
1-[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 115958215
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
N-[[3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 112609048
4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol
CID 115952579
N-[[3-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112608993
N-[[3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 112609097
N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952657
N-[[2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 104796465
2-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]benzonitrile
CID 115952624
N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115953307
N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952978

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine (CID 112609118) is N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine is CCNCc1cccc(C)c1OCc1cnc(C)s1.
What is the InChIKey of N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is ZKKQMEFHYLTMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-16-8-13-7-5-6-11(2)15(13)18-10-14-9-17-12(3)19-14/h5-7,9,16H,4,8,10H2,1-3H3.
What are the key properties of N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine?
N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 112609118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).