4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;4-propan-2-ylbenzene-1,3-diamine

C23H30N4O2 — CID 70518337

IUPAC4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;4-propan-2-ylbenzene-1,3-diamine
SMILESCC(C)c1ccc(N)cc1N.COc1cc(-c2ccc(N)c(OC)c2)ccc1N
InChIInChI=1S/C14H16N2O2.C9H14N2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2;1-6(2)8-4-3-7(10)5-9(8)11/h3-8H,15-16H2,1-2H3;3-6H,10-11H2,1-2H3
InChIKeyXFFRRBLXNZIHSE-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.51
Rot. Bonds4

About 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;4-propan-2-ylbenzene-1,3-diamine

4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;4-propan-2-ylbenzene-1,3-diamine (PubChem CID 70518337) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;4-propan-2-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;4-propan-2-ylbenzene-1,3-diamine
PubChem CID70518337
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;4-propan-2-ylbenzene-1,3-diamine
SMILESCC(C)c1ccc(N)cc1N.COc1cc(-c2ccc(N)c(OC)c2)ccc1N
InChIInChI=1S/C14H16N2O2.C9H14N2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2;1-6(2)8-4-3-7(10)5-9(8)11/h3-8H,15-16H2,1-2H3;3-6H,10-11H2,1-2H3
InChIKeyXFFRRBLXNZIHSE-UHFFFAOYSA-N
XLogP4.51
TPSA122.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;4-propan-2-ylbenzene-1,3-diamine?
The IUPAC name of 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;4-propan-2-ylbenzene-1,3-diamine (CID 70518337) is 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;4-propan-2-ylbenzene-1,3-diamine.
What is the SMILES notation for 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;4-propan-2-ylbenzene-1,3-diamine?
The canonical SMILES for 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;4-propan-2-ylbenzene-1,3-diamine is CC(C)c1ccc(N)cc1N.COc1cc(-c2ccc(N)c(OC)c2)ccc1N.
What is the InChIKey of 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;4-propan-2-ylbenzene-1,3-diamine?
The InChIKey is XFFRRBLXNZIHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2.C9H14N2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2;1-6(2)8-4-3-7(10)5-9(8)11/h3-8H,15-16H2,1-2H3;3-6H,10-11H2,1-2H3.
What are the key properties of 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;4-propan-2-ylbenzene-1,3-diamine?
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;4-propan-2-ylbenzene-1,3-diamine has a molecular weight of 394.52 g/mol, XLogP of 4.51, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;4-propan-2-ylbenzene-1,3-diamine is sourced from PubChem (CID 70518337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).