3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline

C12H20N2O — CID 102813670

IUPAC3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline
SMILESCCN(CCOC)c1cccc(CN)c1
InChIInChI=1S/C12H20N2O/c1-3-14(7-8-15-2)12-6-4-5-11(9-12)10-13/h4-6,9H,3,7-8,10,13H2,1-2H3
InChIKeyNBBXZCWFXZAUMG-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.62
Rot. Bonds6

About 3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline

3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline (PubChem CID 102813670) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline
PubChem CID102813670
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline
SMILESCCN(CCOC)c1cccc(CN)c1
InChIInChI=1S/C12H20N2O/c1-3-14(7-8-15-2)12-6-4-5-11(9-12)10-13/h4-6,9H,3,7-8,10,13H2,1-2H3
InChIKeyNBBXZCWFXZAUMG-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-N-(2-methoxyethyl)anilino]ethanol
CID 102814298
3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 61444424
3-(2-aminoethyl)-N-ethyl-5-fluoro-N-(2-methoxyethyl)aniline
CID 106532625
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethyl-4-methylaniline
CID 62003351
3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine
CID 43587927
3-(aminomethyl)-N-butyl-N-propylaniline
CID 143588323
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-ethylaniline
CID 43253527
N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline
CID 156571603
3-(2-aminoethyl)-N,N-diethylaniline
CID 82402430
2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol
CID 102813585
3-bromo-N,N-bis(2-methoxyethyl)aniline
CID 146003902
3-N-ethyl-3-N-[3-(2-methoxyethoxy)propyl]benzene-1,3-diamine
CID 103410198

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline?
The IUPAC name of 3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline (CID 102813670) is 3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline is CCN(CCOC)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline?
The InChIKey is NBBXZCWFXZAUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-14(7-8-15-2)12-6-4-5-11(9-12)10-13/h4-6,9H,3,7-8,10,13H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline?
3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline has a molecular weight of 208.30 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 102813670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).