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

C14H24N2O2 — CID 81058976

IUPACN-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine
SMILESCCOCCN(C)CCOc1cccc(CN)c1
InChIInChI=1S/C14H24N2O2/c1-3-17-9-7-16(2)8-10-18-14-6-4-5-13(11-14)12-15/h4-6,11H,3,7-10,12,15H2,1-2H3
InChIKeyIXNRQMLNKPVFHO-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.49
Rot. Bonds9

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

N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine (PubChem CID 81058976) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine
PubChem CID81058976
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine
SMILESCCOCCN(C)CCOc1cccc(CN)c1
InChIInChI=1S/C14H24N2O2/c1-3-17-9-7-16(2)8-10-18-14-6-4-5-13(11-14)12-15/h4-6,11H,3,7-10,12,15H2,1-2H3
InChIKeyIXNRQMLNKPVFHO-UHFFFAOYSA-N
XLogP1.49
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
CID 43253622
ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate
CID 63380820
2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
CID 54898422
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
CID 43253419
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
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethylpropan-2-amine
CID 43265455
[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 167192586

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine?
The IUPAC name of N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine (CID 81058976) is N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine.
What is the SMILES notation for N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine?
The canonical SMILES for N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine is CCOCCN(C)CCOc1cccc(CN)c1.
What is the InChIKey of N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine?
The InChIKey is IXNRQMLNKPVFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-17-9-7-16(2)8-10-18-14-6-4-5-13(11-14)12-15/h4-6,11H,3,7-10,12,15H2,1-2H3.
What are the key properties of N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine?
N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine has a molecular weight of 252.36 g/mol, XLogP of 1.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine is sourced from PubChem (CID 81058976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).