N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline

C12H20N2O2 — CID 79479150

IUPACN-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline
SMILESCOc1cccc(N(C)CCOCCN)c1
InChIInChI=1S/C12H20N2O2/c1-14(7-9-16-8-6-13)11-4-3-5-12(10-11)15-2/h3-5,10H,6-9,13H2,1-2H3
InChIKeyUEDQFINEUWRXBG-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.11
Rot. Bonds7

About N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline

N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline (PubChem CID 79479150) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline
PubChem CID79479150
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline
SMILESCOc1cccc(N(C)CCOCCN)c1
InChIInChI=1S/C12H20N2O2/c1-14(7-9-16-8-6-13)11-4-3-5-12(10-11)15-2/h3-5,10H,6-9,13H2,1-2H3
InChIKeyUEDQFINEUWRXBG-UHFFFAOYSA-N
XLogP1.11
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.11
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

N-ethyl-3-methoxy-N-methylaniline
CID 67357774
2-[2-(3-methoxy-N-methylanilino)ethoxy]propanenitrile
CID 114266184
3-methoxy-N,N-bis[2-(2-methoxyethoxy)ethyl]aniline
CID 156565420
N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine
CID 106708049
N-(6-chlorohexyl)-3-methoxy-N-methylaniline
CID 62227835
3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)aniline
CID 166462130
1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 62003980
(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492
3-[3-[2-(2-aminoethoxy)ethoxy]propoxy]-N,N-dimethylaniline
CID 82353541
1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol
CID 64819164
N-(2-methoxyethyl)-N'-(3-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 55087335
N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline
CID 156571603

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline (CID 79479150) is N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline is COc1cccc(N(C)CCOCCN)c1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline?
The InChIKey is UEDQFINEUWRXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-14(7-9-16-8-6-13)11-4-3-5-12(10-11)15-2/h3-5,10H,6-9,13H2,1-2H3.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline?
N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline has a molecular weight of 224.30 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline is sourced from PubChem (CID 79479150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).