2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine

C13H22N2O — CID 16787209

IUPAC2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccccc1CN
InChIInChI=1S/C13H22N2O/c1-3-15(4-2)9-10-16-13-8-6-5-7-12(13)11-14/h5-8H,3-4,9-11,14H2,1-2H3
InChIKeyQKTZEXRCEPPMOB-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.87
Rot. Bonds7

About 2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine

2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine (PubChem CID 16787209) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
PubChem CID16787209
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccccc1CN
InChIInChI=1S/C13H22N2O/c1-3-15(4-2)9-10-16-13-8-6-5-7-12(13)11-14/h5-8H,3-4,9-11,14H2,1-2H3
InChIKeyQKTZEXRCEPPMOB-UHFFFAOYSA-N
XLogP1.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-ethylethanamine
CID 63696644
N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 43588461
N-[2-[2-(aminomethyl)phenoxy]ethyl]-N-(cyclopropylmethyl)propan-1-amine
CID 43478990
2-[2-(aminomethyl)-4-methoxyphenoxy]-N,N-diethylethanamine
CID 43268159
N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695677
2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine
CID 112607689
2-[2-(aminomethyl)-3-chlorophenoxy]-N,N-diethylethanamine
CID 62501610
(2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide
CID 119848384
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 43277400
[2-(2-butan-2-yloxyethoxy)phenyl]methanamine
CID 60903164
[2-[2-(diethylamino)ethoxy]phenyl]boronic acid
CID 43145279
2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine
CID 61416325

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine (CID 16787209) is 2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine is CCN(CC)CCOc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine?
The InChIKey is QKTZEXRCEPPMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-15(4-2)9-10-16-13-8-6-5-7-12(13)11-14/h5-8H,3-4,9-11,14H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine?
2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine has a molecular weight of 222.33 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine is sourced from PubChem (CID 16787209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).