N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine

C15H20N2OS — CID 115878966

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCCOCc1ccccc1CNC(C)c1cscn1
InChIInChI=1S/C15H20N2OS/c1-3-18-9-14-7-5-4-6-13(14)8-16-12(2)15-10-19-11-17-15/h4-7,10-12,16H,3,8-9H2,1-2H3
InChIKeyAYDPDLSSZVRKGR-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.53
Rot. Bonds7

About N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine

N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine (PubChem CID 115878966) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
PubChem CID115878966
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCCOCc1ccccc1CNC(C)c1cscn1
InChIInChI=1S/C15H20N2OS/c1-3-18-9-14-7-5-4-6-13(14)8-16-12(2)15-10-19-11-17-15/h4-7,10-12,16H,3,8-9H2,1-2H3
InChIKeyAYDPDLSSZVRKGR-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115878963
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 166263473
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]ethanamine
CID 60924424
N-[(3-methyl-4-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 114699058
N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 63448148
N-[(2-methyl-3-nitrophenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 103114749
1-(1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 115879082
N-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine
CID 62444314
N-[(4-propan-2-ylphenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879113
N-[(4-bromophenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879170
2-(methoxymethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115928988
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 113348148

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine (CID 115878966) is N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine is CCOCc1ccccc1CNC(C)c1cscn1.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is AYDPDLSSZVRKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-18-9-14-7-5-4-6-13(14)8-16-12(2)15-10-19-11-17-15/h4-7,10-12,16H,3,8-9H2,1-2H3.
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine?
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 115878966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).