5-ethoxy-3-N-(4-methoxyphenyl)-3-N-methylbenzene-1,3-diamine

C16H20N2O2 — CID 80739210

IUPAC5-ethoxy-3-N-(4-methoxyphenyl)-3-N-methylbenzene-1,3-diamine
SMILESCCOc1cc(N)cc(N(C)c2ccc(OC)cc2)c1
InChIInChI=1S/C16H20N2O2/c1-4-20-16-10-12(17)9-14(11-16)18(2)13-5-7-15(19-3)8-6-13/h5-11H,4,17H2,1-3H3
InChIKeyNXKGGJKMCYMWIE-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.44
Rot. Bonds5

About 5-ethoxy-3-N-(4-methoxyphenyl)-3-N-methylbenzene-1,3-diamine

5-ethoxy-3-N-(4-methoxyphenyl)-3-N-methylbenzene-1,3-diamine (PubChem CID 80739210) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-ethoxy-3-N-(4-methoxyphenyl)-3-N-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-ethoxy-3-N-(4-methoxyphenyl)-3-N-methylbenzene-1,3-diamine
PubChem CID80739210
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-ethoxy-3-N-(4-methoxyphenyl)-3-N-methylbenzene-1,3-diamine
SMILESCCOc1cc(N)cc(N(C)c2ccc(OC)cc2)c1
InChIInChI=1S/C16H20N2O2/c1-4-20-16-10-12(17)9-14(11-16)18(2)13-5-7-15(19-3)8-6-13/h5-11H,4,17H2,1-3H3
InChIKeyNXKGGJKMCYMWIE-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
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-(4-methoxyphenyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
CID 80739510
5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine
CID 80722151
3,5-diethoxyaniline
CID 22605063
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
3-N,3-N-dibutyl-5-ethoxybenzene-1,3-diamine
CID 80722097
5-ethoxy-3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 80728549
4-N-(4-methoxyphenyl)-4-N-methyl-2-propoxybenzene-1,4-diamine
CID 63677320
5-methoxy-3-N-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine
CID 80738542
N-(4-ethoxyphenyl)-N,4-dimethylaniline
CID 20575987
3-N-(2-methoxyphenyl)-3-N-methyl-5-propoxybenzene-1,3-diamine
CID 80740132
5-ethoxy-3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]benzene-1,3-diamine
CID 80730662
5-ethoxy-3-N-methyl-3-N-(2-propan-2-yloxyethyl)benzene-1,3-diamine
CID 81059783

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-N-(4-methoxyphenyl)-3-N-methylbenzene-1,3-diamine?
The IUPAC name of 5-ethoxy-3-N-(4-methoxyphenyl)-3-N-methylbenzene-1,3-diamine (CID 80739210) is 5-ethoxy-3-N-(4-methoxyphenyl)-3-N-methylbenzene-1,3-diamine.
What is the SMILES notation for 5-ethoxy-3-N-(4-methoxyphenyl)-3-N-methylbenzene-1,3-diamine?
The canonical SMILES for 5-ethoxy-3-N-(4-methoxyphenyl)-3-N-methylbenzene-1,3-diamine is CCOc1cc(N)cc(N(C)c2ccc(OC)cc2)c1.
What is the InChIKey of 5-ethoxy-3-N-(4-methoxyphenyl)-3-N-methylbenzene-1,3-diamine?
The InChIKey is NXKGGJKMCYMWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-20-16-10-12(17)9-14(11-16)18(2)13-5-7-15(19-3)8-6-13/h5-11H,4,17H2,1-3H3.
What are the key properties of 5-ethoxy-3-N-(4-methoxyphenyl)-3-N-methylbenzene-1,3-diamine?
5-ethoxy-3-N-(4-methoxyphenyl)-3-N-methylbenzene-1,3-diamine has a molecular weight of 272.35 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-N-(4-methoxyphenyl)-3-N-methylbenzene-1,3-diamine is sourced from PubChem (CID 80739210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).