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

C15H20N2O2 — CID 112608993

IUPACN-[[3-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(C)c1OCc1cc(C)no1
InChIInChI=1S/C15H20N2O2/c1-4-16-9-13-7-5-6-11(2)15(13)18-10-14-8-12(3)17-19-14/h5-8,16H,4,9-10H2,1-3H3
InChIKeySVJRJCGPGJHGNN-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.98
Rot. Bonds6

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

N-[[3-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 112608993) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[3-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID112608993
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[[3-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(C)c1OCc1cc(C)no1
InChIInChI=1S/C15H20N2O2/c1-4-16-9-13-7-5-6-11(2)15(13)18-10-14-8-12(3)17-19-14/h5-8,16H,4,9-10H2,1-3H3
InChIKeySVJRJCGPGJHGNN-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 78913723
N-[[3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 112609097
N-[[3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 115955154
1-[3-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylmethanamine
CID 61390263
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112609118
N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952657
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-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine
CID 115953321
N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115953307
N-[[2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 104796465

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]ethanamine (CID 112608993) is N-[[3-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]ethanamine is CCNCc1cccc(C)c1OCc1cc(C)no1.
What is the InChIKey of N-[[3-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is SVJRJCGPGJHGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-16-9-13-7-5-6-11(2)15(13)18-10-14-8-12(3)17-19-14/h5-8,16H,4,9-10H2,1-3H3.
What are the key properties of N-[[3-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]ethanamine?
N-[[3-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 2.98, 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-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 112608993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).