2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine

C17H22N2O2 — CID 63671838

IUPAC2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine
SMILESCCOc1cc(N(C)Cc2cccc(OC)c2)ccc1N
InChIInChI=1S/C17H22N2O2/c1-4-21-17-11-14(8-9-16(17)18)19(2)12-13-6-5-7-15(10-13)20-3/h5-11H,4,12,18H2,1-3H3
InChIKeyJYEVFHXFUDGWRU-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.31
Rot. Bonds6

About 2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine

2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine (PubChem CID 63671838) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine
PubChem CID63671838
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine
SMILESCCOc1cc(N(C)Cc2cccc(OC)c2)ccc1N
InChIInChI=1S/C17H22N2O2/c1-4-21-17-11-14(8-9-16(17)18)19(2)12-13-6-5-7-15(10-13)20-3/h5-11H,4,12,18H2,1-3H3
InChIKeyJYEVFHXFUDGWRU-UHFFFAOYSA-N
XLogP3.31
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(4-amino-3-ethoxy-N-methylanilino)methyl]benzonitrile
CID 63675919
2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589508
4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propoxybenzene-1,4-diamine
CID 63671361
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
2-fluoro-4-[(3-methoxy-N-methylanilino)methyl]aniline
CID 63189213
2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 63672171
2-ethoxy-4-N-(2-methoxyethyl)-4-N-methylbenzene-1,4-diamine
CID 63671709
2-ethoxy-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
CID 63672184
5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62004359
4-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 115468715
2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline
CID 63675963
4-[(3-methoxyphenyl)methyl-methylamino]benzaldehyde
CID 61418108

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine (CID 63671838) is 2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine is CCOc1cc(N(C)Cc2cccc(OC)c2)ccc1N.
What is the InChIKey of 2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine?
The InChIKey is JYEVFHXFUDGWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-21-17-11-14(8-9-16(17)18)19(2)12-13-6-5-7-15(10-13)20-3/h5-11H,4,12,18H2,1-3H3.
What are the key properties of 2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine?
2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 63671838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).