N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxolan-2-ylmethyl)ethanamine

C16H26N2O2 — CID 62436955

IUPACN-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxolan-2-ylmethyl)ethanamine
SMILESCNCc1cccc(OCCN(C)CC2CCCO2)c1
InChIInChI=1S/C16H26N2O2/c1-17-12-14-5-3-6-15(11-14)20-10-8-18(2)13-16-7-4-9-19-16/h3,5-6,11,16-17H,4,7-10,12-13H2,1-2H3
InChIKeyUNXPZHWIRJJVRA-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.90
Rot. Bonds8

About N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxolan-2-ylmethyl)ethanamine

N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 62436955) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID62436955
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxolan-2-ylmethyl)ethanamine
SMILESCNCc1cccc(OCCN(C)CC2CCCO2)c1
InChIInChI=1S/C16H26N2O2/c1-17-12-14-5-3-6-15(11-14)20-10-8-18(2)13-16-7-4-9-19-16/h3,5-6,11,16-17H,4,7-10,12-13H2,1-2H3
InChIKeyUNXPZHWIRJJVRA-UHFFFAOYSA-N
XLogP1.90
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxan-4-ylmethyl)ethanamine
CID 63706671
N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 62416994
4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline
CID 61431012
2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine
CID 65158699
2-(4-methoxyphenoxy)-N-methyl-N-(oxan-2-ylmethyl)ethanamine
CID 91834866
N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]cyclopropanamine
CID 65158588
2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine
CID 63631386
2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
CID 54898422
2-[4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanethioamide
CID 61432522
N-[[3-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 62436952
2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine
CID 65158746
N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43278533

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxolan-2-ylmethyl)ethanamine (CID 62436955) is N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxolan-2-ylmethyl)ethanamine is CNCc1cccc(OCCN(C)CC2CCCO2)c1.
What is the InChIKey of N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is UNXPZHWIRJJVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-17-12-14-5-3-6-15(11-14)20-10-8-18(2)13-16-7-4-9-19-16/h3,5-6,11,16-17H,4,7-10,12-13H2,1-2H3.
What are the key properties of N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxolan-2-ylmethyl)ethanamine?
N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 278.40 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 62436955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).