2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine

C16H20N2O2 — CID 79589508

IUPAC2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCOc1cccc(COc2cc(N(C)C)ccc2N)c1
InChIInChI=1S/C16H20N2O2/c1-18(2)13-7-8-15(17)16(10-13)20-11-12-5-4-6-14(9-12)19-3/h4-10H,11,17H2,1-3H3
InChIKeyLYAMTMZXPRWGDL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.92
Rot. Bonds5

About 2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine

2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 79589508) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID79589508
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCOc1cccc(COc2cc(N(C)C)ccc2N)c1
InChIInChI=1S/C16H20N2O2/c1-18(2)13-7-8-15(17)16(10-13)20-11-12-5-4-6-14(9-12)19-3/h4-10H,11,17H2,1-3H3
InChIKeyLYAMTMZXPRWGDL-UHFFFAOYSA-N
XLogP2.92
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.92
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

2-[(3-chlorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589158
2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 63671838
2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589331
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
2-[2-[(3-methoxyphenyl)methoxy]ethoxy]aniline
CID 43366089
4-fluoro-5-iodo-2-[(3-methoxyphenyl)methoxy]aniline
CID 66100157
3-[(3-methoxyphenyl)methoxy]-4-methylaniline
CID 43520224
4-N,4-N-dimethyl-2-(3-phenylpropoxy)benzene-1,4-diamine
CID 79588899
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
3-chloro-4-[(3-methoxyphenyl)methoxy]aniline
CID 19626986
2-[(3-methoxyphenyl)methoxy]-5-methylsulfonylaniline
CID 43448183
5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile
CID 55134763

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 79589508) is 2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine is COc1cccc(COc2cc(N(C)C)ccc2N)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is LYAMTMZXPRWGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18(2)13-7-8-15(17)16(10-13)20-11-12-5-4-6-14(9-12)19-3/h4-10H,11,17H2,1-3H3.
What are the key properties of 2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine?
2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 79589508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).