2-[(4-anilinoanilino)oxymethyl]-4-N-(4-methoxyphenyl)benzene-1,4-diamine

C26H26N4O2 — CID 19828299

IUPAC2-[(4-anilinoanilino)oxymethyl]-4-N-(4-methoxyphenyl)benzene-1,4-diamine
SMILESCOc1ccc(Nc2ccc(N)c(CONc3ccc(Nc4ccccc4)cc3)c2)cc1
InChIInChI=1S/C26H26N4O2/c1-31-25-14-11-22(12-15-25)29-24-13-16-26(27)19(17-24)18-32-30-23-9-7-21(8-10-23)28-20-5-3-2-4-6-20/h2-17,28-30H,18,27H2,1H3
InChIKeyJFPRURTVBRYFMA-UHFFFAOYSA-N
MW426.52 g/mol
LogP6.31
Rot. Bonds9

About 2-[(4-anilinoanilino)oxymethyl]-4-N-(4-methoxyphenyl)benzene-1,4-diamine

2-[(4-anilinoanilino)oxymethyl]-4-N-(4-methoxyphenyl)benzene-1,4-diamine (PubChem CID 19828299) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[(4-anilinoanilino)oxymethyl]-4-N-(4-methoxyphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-[(4-anilinoanilino)oxymethyl]-4-N-(4-methoxyphenyl)benzene-1,4-diamine
PubChem CID19828299
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-[(4-anilinoanilino)oxymethyl]-4-N-(4-methoxyphenyl)benzene-1,4-diamine
SMILESCOc1ccc(Nc2ccc(N)c(CONc3ccc(Nc4ccccc4)cc3)c2)cc1
InChIInChI=1S/C26H26N4O2/c1-31-25-14-11-22(12-15-25)29-24-13-16-26(27)19(17-24)18-32-30-23-9-7-21(8-10-23)28-20-5-3-2-4-6-20/h2-17,28-30H,18,27H2,1H3
InChIKeyJFPRURTVBRYFMA-UHFFFAOYSA-N
XLogP6.31
TPSA80.57 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 56.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43436240
3-N-(4-methoxyphenyl)benzene-1,3-diamine
CID 22486418
2-hexyl-4-N-phenylbenzene-1,4-diamine
CID 67108277
3-(4-methoxyanilino)phenol
CID 15574559
1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 55130746
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
2-amino-5-(4-methoxyanilino)benzamide
CID 61311885
2-[3-(4-methoxyanilino)phenyl]acetic acid
CID 155289963
4-N-(4-anilinophenyl)benzene-1,2,4-triamine
CID 57184309
3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine
CID 117027159
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
4-methoxy-2-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 69243063

Frequently Asked Questions

What is the IUPAC name of 2-[(4-anilinoanilino)oxymethyl]-4-N-(4-methoxyphenyl)benzene-1,4-diamine?
The IUPAC name of 2-[(4-anilinoanilino)oxymethyl]-4-N-(4-methoxyphenyl)benzene-1,4-diamine (CID 19828299) is 2-[(4-anilinoanilino)oxymethyl]-4-N-(4-methoxyphenyl)benzene-1,4-diamine.
What is the SMILES notation for 2-[(4-anilinoanilino)oxymethyl]-4-N-(4-methoxyphenyl)benzene-1,4-diamine?
The canonical SMILES for 2-[(4-anilinoanilino)oxymethyl]-4-N-(4-methoxyphenyl)benzene-1,4-diamine is COc1ccc(Nc2ccc(N)c(CONc3ccc(Nc4ccccc4)cc3)c2)cc1.
What is the InChIKey of 2-[(4-anilinoanilino)oxymethyl]-4-N-(4-methoxyphenyl)benzene-1,4-diamine?
The InChIKey is JFPRURTVBRYFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-31-25-14-11-22(12-15-25)29-24-13-16-26(27)19(17-24)18-32-30-23-9-7-21(8-10-23)28-20-5-3-2-4-6-20/h2-17,28-30H,18,27H2,1H3.
What are the key properties of 2-[(4-anilinoanilino)oxymethyl]-4-N-(4-methoxyphenyl)benzene-1,4-diamine?
2-[(4-anilinoanilino)oxymethyl]-4-N-(4-methoxyphenyl)benzene-1,4-diamine has a molecular weight of 426.52 g/mol, XLogP of 6.31, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-anilinoanilino)oxymethyl]-4-N-(4-methoxyphenyl)benzene-1,4-diamine is sourced from PubChem (CID 19828299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).