4,5-dimethoxy-2-N-[3-(methoxymethyl)phenyl]benzene-1,2-diamine

C16H20N2O3 — CID 83004428

IUPAC4,5-dimethoxy-2-N-[3-(methoxymethyl)phenyl]benzene-1,2-diamine
SMILESCOCc1cccc(Nc2cc(OC)c(OC)cc2N)c1
InChIInChI=1S/C16H20N2O3/c1-19-10-11-5-4-6-12(7-11)18-14-9-16(21-3)15(20-2)8-13(14)17/h4-9,18H,10,17H2,1-3H3
InChIKeyUQYAVBUKDKJHAT-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.18
Rot. Bonds6

About 4,5-dimethoxy-2-N-[3-(methoxymethyl)phenyl]benzene-1,2-diamine

4,5-dimethoxy-2-N-[3-(methoxymethyl)phenyl]benzene-1,2-diamine (PubChem CID 83004428) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4,5-dimethoxy-2-N-[3-(methoxymethyl)phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dimethoxy-2-N-[3-(methoxymethyl)phenyl]benzene-1,2-diamine
PubChem CID83004428
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4,5-dimethoxy-2-N-[3-(methoxymethyl)phenyl]benzene-1,2-diamine
SMILESCOCc1cccc(Nc2cc(OC)c(OC)cc2N)c1
InChIInChI=1S/C16H20N2O3/c1-19-10-11-5-4-6-12(7-11)18-14-9-16(21-3)15(20-2)8-13(14)17/h4-9,18H,10,17H2,1-3H3
InChIKeyUQYAVBUKDKJHAT-UHFFFAOYSA-N
XLogP3.18
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine
CID 72699042
4-amino-3-[3-(methoxymethyl)anilino]benzoic acid
CID 82784847
1-N-[3-(methoxymethyl)phenyl]-4-nitrobenzene-1,2-diamine
CID 62506472
2-N-(3-chloro-4-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83004208
3-(methoxymethyl)-N-methylaniline
CID 23080905
4-fluoro-5-methoxy-1-N-(3-methylphenyl)benzene-1,2-diamine
CID 63600094
2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436854
methyl 3-amino-2-[3-(methoxymethyl)anilino]benzoate
CID 115934435
2-N-benzyl-4,5-dimethoxybenzene-1,2-diamine
CID 13230181
4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112726133
3-bromo-N-[3-(methoxymethyl)phenyl]pyridin-4-amine
CID 104778246
3-(methoxymethyl)-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43778830

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-N-[3-(methoxymethyl)phenyl]benzene-1,2-diamine?
The IUPAC name of 4,5-dimethoxy-2-N-[3-(methoxymethyl)phenyl]benzene-1,2-diamine (CID 83004428) is 4,5-dimethoxy-2-N-[3-(methoxymethyl)phenyl]benzene-1,2-diamine.
What is the SMILES notation for 4,5-dimethoxy-2-N-[3-(methoxymethyl)phenyl]benzene-1,2-diamine?
The canonical SMILES for 4,5-dimethoxy-2-N-[3-(methoxymethyl)phenyl]benzene-1,2-diamine is COCc1cccc(Nc2cc(OC)c(OC)cc2N)c1.
What is the InChIKey of 4,5-dimethoxy-2-N-[3-(methoxymethyl)phenyl]benzene-1,2-diamine?
The InChIKey is UQYAVBUKDKJHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-19-10-11-5-4-6-12(7-11)18-14-9-16(21-3)15(20-2)8-13(14)17/h4-9,18H,10,17H2,1-3H3.
What are the key properties of 4,5-dimethoxy-2-N-[3-(methoxymethyl)phenyl]benzene-1,2-diamine?
4,5-dimethoxy-2-N-[3-(methoxymethyl)phenyl]benzene-1,2-diamine has a molecular weight of 288.35 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-N-[3-(methoxymethyl)phenyl]benzene-1,2-diamine is sourced from PubChem (CID 83004428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).