3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine

C16H20N2O2 — CID 106259906

IUPAC3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
SMILESCOc1ccccc1CCNc1cccc(OC)c1N
InChIInChI=1S/C16H20N2O2/c1-19-14-8-4-3-6-12(14)10-11-18-13-7-5-9-15(20-2)16(13)17/h3-9,18H,10-11,17H2,1-2H3
InChIKeyLIVGRUGBUASDJS-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.94
Rot. Bonds6

About 3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine

3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine (PubChem CID 106259906) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
PubChem CID106259906
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
SMILESCOc1ccccc1CCNc1cccc(OC)c1N
InChIInChI=1S/C16H20N2O2/c1-19-14-8-4-3-6-12(14)10-11-18-13-7-5-9-15(20-2)16(13)17/h3-9,18H,10-11,17H2,1-2H3
InChIKeyLIVGRUGBUASDJS-UHFFFAOYSA-N
XLogP2.94
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-1-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzene-1,2-diamine
CID 113392706
2-chloro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine
CID 106259764
1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
CID 106259841
4-fluoro-5-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259828
3-methoxy-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 113392755
3-methoxy-1-N-(7-methyloctyl)benzene-1,2-diamine
CID 107814794
2-chloro-4-N-[2-(2-methoxyphenyl)ethyl]-5-methylbenzene-1,4-diamine
CID 106259814
2-chloro-6-[2-(2-methoxyphenyl)ethylamino]benzoic acid
CID 106262540
2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115132209
2-[2-(2-methoxyphenyl)ethylamino]-6-methylsulfanylbenzonitrile
CID 106261258
2,6-difluoro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine
CID 106259825
5-(2-amino-3-methoxyanilino)-2-methylpentan-1-ol
CID 106154653

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine?
The IUPAC name of 3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine (CID 106259906) is 3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine is COc1ccccc1CCNc1cccc(OC)c1N.
What is the InChIKey of 3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine?
The InChIKey is LIVGRUGBUASDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-19-14-8-4-3-6-12(14)10-11-18-13-7-5-9-15(20-2)16(13)17/h3-9,18H,10-11,17H2,1-2H3.
What are the key properties of 3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine?
3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 106259906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).