2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine

C12H20N2O — CID 43263089

IUPAC2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
SMILESCCN(C)CCOc1cccc(CN)c1
InChIInChI=1S/C12H20N2O/c1-3-14(2)7-8-15-12-6-4-5-11(9-12)10-13/h4-6,9H,3,7-8,10,13H2,1-2H3
InChIKeyNUWLBSIMTPBGFV-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.48
Rot. Bonds6

About 2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine

2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine (PubChem CID 43263089) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
PubChem CID43263089
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
SMILESCCN(C)CCOc1cccc(CN)c1
InChIInChI=1S/C12H20N2O/c1-3-14(2)7-8-15-12-6-4-5-11(9-12)10-13/h4-6,9H,3,7-8,10,13H2,1-2H3
InChIKeyNUWLBSIMTPBGFV-UHFFFAOYSA-N
XLogP1.48
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine
CID 81058976
2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
CID 43253622
2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
CID 54898422
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
CID 43253419
ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate
CID 63380820
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethylpropan-2-amine
CID 43265455
2-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine
CID 61415614
2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine
CID 63631386
2-[3-(aminomethyl)phenoxy]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 43564723
2-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 43530779
3-[3-(aminomethyl)phenoxy]-N-ethyl-N-propan-2-ylpropan-1-amine
CID 43265457
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethyl-4-methylaniline
CID 62003351

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine?
The IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine (CID 43263089) is 2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine?
The canonical SMILES for 2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine is CCN(C)CCOc1cccc(CN)c1.
What is the InChIKey of 2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine?
The InChIKey is NUWLBSIMTPBGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-14(2)7-8-15-12-6-4-5-11(9-12)10-13/h4-6,9H,3,7-8,10,13H2,1-2H3.
What are the key properties of 2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine?
2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine has a molecular weight of 208.30 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine is sourced from PubChem (CID 43263089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).