N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine

C13H22N2O — CID 43253419

IUPACN-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CCOc1cccc(CN)c1
InChIInChI=1S/C13H22N2O/c1-11(2)15(3)7-8-16-13-6-4-5-12(9-13)10-14/h4-6,9,11H,7-8,10,14H2,1-3H3
InChIKeyGUXIGFMKLLOFPG-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.86
Rot. Bonds6

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

N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine (PubChem CID 43253419) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
PubChem CID43253419
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CCOc1cccc(CN)c1
InChIInChI=1S/C13H22N2O/c1-11(2)15(3)7-8-16-13-6-4-5-12(9-13)10-14/h4-6,9,11H,7-8,10,14H2,1-3H3
InChIKeyGUXIGFMKLLOFPG-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethylpropan-2-amine
CID 43265455
2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
CID 43253622
3-[3-(aminomethyl)phenoxy]-N-ethyl-N-propan-2-ylpropan-1-amine
CID 43265457
N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine
CID 81058976
3-[3-[methyl(propan-2-yl)amino]propoxy]aniline
CID 43365525
2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
CID 54898422
ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate
CID 63380820
[3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 43254178
2-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine
CID 61415614
3-[2-[methyl(propan-2-yl)amino]ethoxy]benzonitrile
CID 43288705
N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 55074867

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine?
The IUPAC name of N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine (CID 43253419) is N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine is CC(C)N(C)CCOc1cccc(CN)c1.
What is the InChIKey of N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine?
The InChIKey is GUXIGFMKLLOFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)15(3)7-8-16-13-6-4-5-12(9-13)10-14/h4-6,9,11H,7-8,10,14H2,1-3H3.
What are the key properties of N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine?
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine has a molecular weight of 222.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine is sourced from PubChem (CID 43253419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).