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

C18H24N2O — CID 43253642

IUPACN-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethyl-2-methylaniline
SMILESCCN(CCOc1cccc(CN)c1)c1ccccc1C
InChIInChI=1S/C18H24N2O/c1-3-20(18-10-5-4-7-15(18)2)11-12-21-17-9-6-8-16(13-17)14-19/h4-10,13H,3,11-12,14,19H2,1-2H3
InChIKeyODNIRWBDDCQIRX-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.36
Rot. Bonds7

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

N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethyl-2-methylaniline (PubChem CID 43253642) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethyl-2-methylaniline.

Molecular Properties

Compound NameN-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethyl-2-methylaniline
PubChem CID43253642
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethyl-2-methylaniline
SMILESCCN(CCOc1cccc(CN)c1)c1ccccc1C
InChIInChI=1S/C18H24N2O/c1-3-20(18-10-5-4-7-15(18)2)11-12-21-17-9-6-8-16(13-17)14-19/h4-10,13H,3,11-12,14,19H2,1-2H3
InChIKeyODNIRWBDDCQIRX-UHFFFAOYSA-N
XLogP3.36
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethyl-4-methylaniline
CID 62003351
2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethylpropan-2-amine
CID 43265455
[3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine
CID 43254018
2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
CID 43253622
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
CID 43253419
N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine
CID 81058976
3-[3-(aminomethyl)phenoxy]-N-ethyl-N-propan-2-ylpropan-1-amine
CID 43265457
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-ethylaniline
CID 43253527
ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate
CID 63380820
[3-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]phenyl]methanamine
CID 22683215
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-ethyl-2-methylaniline?
The IUPAC name of N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethyl-2-methylaniline (CID 43253642) is N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethyl-2-methylaniline.
What is the SMILES notation for N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethyl-2-methylaniline?
The canonical SMILES for N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethyl-2-methylaniline is CCN(CCOc1cccc(CN)c1)c1ccccc1C.
What is the InChIKey of N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethyl-2-methylaniline?
The InChIKey is ODNIRWBDDCQIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-20(18-10-5-4-7-15(18)2)11-12-21-17-9-6-8-16(13-17)14-19/h4-10,13H,3,11-12,14,19H2,1-2H3.
What are the key properties of N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethyl-2-methylaniline?
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethyl-2-methylaniline has a molecular weight of 284.40 g/mol, XLogP of 3.36, 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-ethyl-2-methylaniline is sourced from PubChem (CID 43253642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).