N,N-dimethyl-2-[3-(2-methyloxazet-4-yl)phenoxy]ethanamine

C13H18N2O2 — CID 156795758

IUPACN,N-dimethyl-2-[3-(2-methyloxazet-4-yl)phenoxy]ethanamine
SMILESCN(C)CCOc1cccc(-c2cn(C)o2)c1
InChIInChI=1S/C13H18N2O2/c1-14(2)7-8-16-12-6-4-5-11(9-12)13-10-15(3)17-13/h4-6,9-10H,7-8H2,1-3H3
InChIKeyQHYKXUCSZHKEON-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.23
Rot. Bonds5

About N,N-dimethyl-2-[3-(2-methyloxazet-4-yl)phenoxy]ethanamine

N,N-dimethyl-2-[3-(2-methyloxazet-4-yl)phenoxy]ethanamine (PubChem CID 156795758) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(2-methyloxazet-4-yl)phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(2-methyloxazet-4-yl)phenoxy]ethanamine
PubChem CID156795758
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN,N-dimethyl-2-[3-(2-methyloxazet-4-yl)phenoxy]ethanamine
SMILESCN(C)CCOc1cccc(-c2cn(C)o2)c1
InChIInChI=1S/C13H18N2O2/c1-14(2)7-8-16-12-6-4-5-11(9-12)13-10-15(3)17-13/h4-6,9-10H,7-8H2,1-3H3
InChIKeyQHYKXUCSZHKEON-UHFFFAOYSA-N
XLogP2.23
TPSA30.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422
2-[3-[2-(dimethylamino)ethoxy]phenyl]chromen-4-one
CID 59086251
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
CID 21281267
2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715455
3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609
3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43720850
3-[2-(dimethylamino)ethoxy]-N,N-diethylaniline
CID 141318125
3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866732
3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline
CID 43720882
2-chloro-5-[3-[2-(dimethylamino)ethoxy]phenyl]-N-phenylaniline;hydrochloride
CID 69326352
3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline
CID 43720877

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(2-methyloxazet-4-yl)phenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[3-(2-methyloxazet-4-yl)phenoxy]ethanamine (CID 156795758) is N,N-dimethyl-2-[3-(2-methyloxazet-4-yl)phenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-(2-methyloxazet-4-yl)phenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-(2-methyloxazet-4-yl)phenoxy]ethanamine is CN(C)CCOc1cccc(-c2cn(C)o2)c1.
What is the InChIKey of N,N-dimethyl-2-[3-(2-methyloxazet-4-yl)phenoxy]ethanamine?
The InChIKey is QHYKXUCSZHKEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14(2)7-8-16-12-6-4-5-11(9-12)13-10-15(3)17-13/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[3-(2-methyloxazet-4-yl)phenoxy]ethanamine?
N,N-dimethyl-2-[3-(2-methyloxazet-4-yl)phenoxy]ethanamine has a molecular weight of 234.30 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(2-methyloxazet-4-yl)phenoxy]ethanamine is sourced from PubChem (CID 156795758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).