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

C15H21ClN2O2 — CID 139898283

IUPACN-[[5-methyl-2-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]ethanamine;hydrochloride
SMILESCCNCc1cc(C)ccc1OCCc1ncco1.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-3-16-11-13-10-12(2)4-5-14(13)18-8-6-15-17-7-9-19-15;/h4-5,7,9-10,16H,3,6,8,11H2,1-2H3;1H
InChIKeyJOUPPSILPQPEOM-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.14
Rot. Bonds7

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

N-[[5-methyl-2-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]ethanamine;hydrochloride (PubChem CID 139898283) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[[5-methyl-2-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-methyl-2-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]ethanamine;hydrochloride
PubChem CID139898283
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[[5-methyl-2-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]ethanamine;hydrochloride
SMILESCCNCc1cc(C)ccc1OCCc1ncco1.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-3-16-11-13-10-12(2)4-5-14(13)18-8-6-15-17-7-9-19-15;/h4-5,7,9-10,16H,3,6,8,11H2,1-2H3;1H
InChIKeyJOUPPSILPQPEOM-UHFFFAOYSA-N
XLogP3.14
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(ethylaminomethyl)-4-methylphenoxy]-2-methylbutan-2-ol
CID 79360568
N-[[5-methyl-2-(4,4,4-trifluorobutoxy)phenyl]methyl]ethanamine
CID 115513238
5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol
CID 55204167
N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 63323168
N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine
CID 63323068
6-[2-(ethylaminomethyl)-4-methylphenoxy]-2,2-dimethylhexanenitrile
CID 106708824
2-[2-(ethylaminomethyl)-4-methylphenoxy]acetonitrile
CID 63323548
N-[[2-[(5-bromo-2-pyridinyl)methoxy]-5-methylphenyl]methyl]ethanamine
CID 104796321
N-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine
CID 63486581
N-[[5-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 114527230
N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine
CID 97179196
N-[[5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 102999785

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[5-methyl-2-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]ethanamine;hydrochloride (CID 139898283) is N-[[5-methyl-2-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[5-methyl-2-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[5-methyl-2-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]ethanamine;hydrochloride is CCNCc1cc(C)ccc1OCCc1ncco1.Cl.
What is the InChIKey of N-[[5-methyl-2-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]ethanamine;hydrochloride?
The InChIKey is JOUPPSILPQPEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.ClH/c1-3-16-11-13-10-12(2)4-5-14(13)18-8-6-15-17-7-9-19-15;/h4-5,7,9-10,16H,3,6,8,11H2,1-2H3;1H.
What are the key properties of N-[[5-methyl-2-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]ethanamine;hydrochloride?
N-[[5-methyl-2-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]ethanamine;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 139898283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).