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

C14H24N2O — CID 43265455

IUPACN-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethylpropan-2-amine
SMILESCCN(CCOc1cccc(CN)c1)C(C)C
InChIInChI=1S/C14H24N2O/c1-4-16(12(2)3)8-9-17-14-7-5-6-13(10-14)11-15/h5-7,10,12H,4,8-9,11,15H2,1-3H3
InChIKeyQZNKLEKZPLEMJF-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.25
Rot. Bonds7

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

N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethylpropan-2-amine (PubChem CID 43265455) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethylpropan-2-amine
PubChem CID43265455
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethylpropan-2-amine
SMILESCCN(CCOc1cccc(CN)c1)C(C)C
InChIInChI=1S/C14H24N2O/c1-4-16(12(2)3)8-9-17-14-7-5-6-13(10-14)11-15/h5-7,10,12H,4,8-9,11,15H2,1-3H3
InChIKeyQZNKLEKZPLEMJF-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(aminomethyl)phenoxy]-N-ethyl-N-propan-2-ylpropan-1-amine
CID 43265457
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
CID 43253419
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine
CID 55074731
2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
3-[2-[ethyl(propan-2-yl)amino]ethoxy]benzohydrazide
CID 63571761
N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine
CID 81058976
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethyl-4-methylaniline
CID 62003351
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethyl-2-methylaniline
CID 43253642
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 62421824
2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
CID 43253622
[3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 43254178
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine
CID 43270084

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethylpropan-2-amine?
The IUPAC name of N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethylpropan-2-amine (CID 43265455) is N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethylpropan-2-amine.
What is the SMILES notation for N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethylpropan-2-amine?
The canonical SMILES for N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethylpropan-2-amine is CCN(CCOc1cccc(CN)c1)C(C)C.
What is the InChIKey of N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethylpropan-2-amine?
The InChIKey is QZNKLEKZPLEMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-16(12(2)3)8-9-17-14-7-5-6-13(10-14)11-15/h5-7,10,12H,4,8-9,11,15H2,1-3H3.
What are the key properties of N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethylpropan-2-amine?
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethylpropan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.25, 7 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-ethylpropan-2-amine is sourced from PubChem (CID 43265455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).