N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine

C12H20N2O — CID 18525858

IUPACN,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
SMILESCNCc1ccccc1OCCN(C)C
InChIInChI=1S/C12H20N2O/c1-13-10-11-6-4-5-7-12(11)15-9-8-14(2)3/h4-7,13H,8-10H2,1-3H3
InChIKeyWHBYXCTXAOHVPI-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.35
Rot. Bonds6

About N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine

N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine (PubChem CID 18525858) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
PubChem CID18525858
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
SMILESCNCc1ccccc1OCCN(C)C
InChIInChI=1S/C12H20N2O/c1-13-10-11-6-4-5-7-12(11)15-9-8-14(2)3/h4-7,13H,8-10H2,1-3H3
InChIKeyWHBYXCTXAOHVPI-UHFFFAOYSA-N
XLogP1.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]aniline
CID 62434817
N-(cyclopropylmethyl)-N-methyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 55074002
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylaniline
CID 3063866
N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide
CID 54879203
2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine
CID 63691253
N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]oxolan-3-amine
CID 82754077
1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62450311
N,N-dimethyl-2-[[3-(methylaminomethyl)-2-pyridinyl]oxy]ethanamine
CID 62296479
6-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]pyridine-2-carbonitrile
CID 133392284
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 61389630
3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine
CID 170879208
1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111126028

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine (CID 18525858) is N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine is CNCc1ccccc1OCCN(C)C.
What is the InChIKey of N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine?
The InChIKey is WHBYXCTXAOHVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-13-10-11-6-4-5-7-12(11)15-9-8-14(2)3/h4-7,13H,8-10H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine?
N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine has a molecular weight of 208.31 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine is sourced from PubChem (CID 18525858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).