3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine

C12H20N2O2 — CID 43587927

IUPAC3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine
SMILESCOCCN(CCOC)c1cccc(N)c1
InChIInChI=1S/C12H20N2O2/c1-15-8-6-14(7-9-16-2)12-5-3-4-11(13)10-12/h3-5,10H,6-9,13H2,1-2H3
InChIKeyKTHYGXWCNGNGOO-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.37
Rot. Bonds7

About 3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine

3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine (PubChem CID 43587927) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine
PubChem CID43587927
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine
SMILESCOCCN(CCOC)c1cccc(N)c1
InChIInChI=1S/C12H20N2O2/c1-15-8-6-14(7-9-16-2)12-5-3-4-11(13)10-12/h3-5,10H,6-9,13H2,1-2H3
InChIKeyKTHYGXWCNGNGOO-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 61444424
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
N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline
CID 124925556
2-[3-(aminomethyl)-N-(2-methoxyethyl)anilino]ethanol
CID 102814298
3-N-ethyl-3-N-propylbenzene-1,3-diamine
CID 43268426
3-N-[4-(3-amino-N-methylanilino)phenyl]-3-N-methylbenzene-1,3-diamine
CID 70215054
3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 102813670
3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)aniline
CID 166462130
3-[3-[2-methoxyethyl(methyl)amino]propyl]aniline
CID 115341872
3-N-[2-(4-methoxyphenyl)ethyl]-3-N-propylbenzene-1,3-diamine
CID 65446769
3-[bis[2-(2-methoxyethoxy)ethyl]amino]phenol
CID 59211296

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine?
The IUPAC name of 3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine (CID 43587927) is 3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine is COCCN(CCOC)c1cccc(N)c1.
What is the InChIKey of 3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine?
The InChIKey is KTHYGXWCNGNGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-15-8-6-14(7-9-16-2)12-5-3-4-11(13)10-12/h3-5,10H,6-9,13H2,1-2H3.
What are the key properties of 3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine?
3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine has a molecular weight of 224.30 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine is sourced from PubChem (CID 43587927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).