N-[(3-ethoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine

C15H20N2O2 — CID 103893548

IUPACN-[(3-ethoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
SMILESCCOc1cccc(CNC(C)c2ncc(C)o2)c1
InChIInChI=1S/C15H20N2O2/c1-4-18-14-7-5-6-13(8-14)10-16-12(3)15-17-9-11(2)19-15/h5-9,12,16H,4,10H2,1-3H3
InChIKeyLTXATWFTLALUEJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.23
Rot. Bonds6

About N-[(3-ethoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine

N-[(3-ethoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine (PubChem CID 103893548) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
PubChem CID103893548
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[(3-ethoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
SMILESCCOc1cccc(CNC(C)c2ncc(C)o2)c1
InChIInChI=1S/C15H20N2O2/c1-4-18-14-7-5-6-13(8-14)10-16-12(3)15-17-9-11(2)19-15/h5-9,12,16H,4,10H2,1-3H3
InChIKeyLTXATWFTLALUEJ-UHFFFAOYSA-N
XLogP3.23
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol
CID 113365416
N-[(3,4-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 104773428
(1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348754
(1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402683
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
N-[(3-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63612191
1-(5-methyl-1,3-oxazol-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 113347384
2-methoxy-4-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol
CID 106388011
5-[1-[(3-ethoxyphenyl)methylamino]ethyl]benzene-1,3-diol
CID 107706023
2-[1-[(3-ethoxyphenyl)methylamino]ethyl]-4-methylphenol
CID 60873911
(1S)-1-(3-bromophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 81382438
1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 70118034

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine (CID 103893548) is N-[(3-ethoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine is CCOc1cccc(CNC(C)c2ncc(C)o2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The InChIKey is LTXATWFTLALUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-18-14-7-5-6-13(8-14)10-16-12(3)15-17-9-11(2)19-15/h5-9,12,16H,4,10H2,1-3H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
N-[(3-ethoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine has a molecular weight of 260.34 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine is sourced from PubChem (CID 103893548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).