4-(4-amino-3-methylphenyl)-2-methylaniline;3-[2-(3-aminophenoxy)phenoxy]aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;3-[4-(3-aminophenoxy)phenoxy]aniline;4-[2-(4-aminophenoxy)phenoxy]aniline;2-[[6-(2-aminophenoxy)-2-pyridinyl]oxy]aniline

C103H95N13O10 — CID 161496378

IUPAC4-(4-amino-3-methylphenyl)-2-methylaniline;3-[2-(3-aminophenoxy)phenoxy]aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;3-[4-(3-aminophenoxy)phenoxy]aniline;4-[2-(4-aminophenoxy)phenoxy]aniline;2-[[6-(2-aminophenoxy)-2-pyridinyl]oxy]aniline
SMILESCc1cc(-c2ccc(N)c(C)c2)ccc1N.Nc1ccc(Oc2ccccc2Oc2ccc(N)cc2)cc1.Nc1cccc(Oc2ccc(Oc3cccc(N)c3)cc2)c1.Nc1cccc(Oc2cccc(Oc3cccc(N)c3)c2)c1.Nc1cccc(Oc2ccccc2Oc2cccc(N)c2)c1.Nc1ccccc1Oc1cccc(Oc2ccccc2N)n1
InChIInChI=1S/4C18H16N2O2.C17H15N3O2.C14H16N2/c19-13-4-1-6-15(10-13)21-17-8-3-9-18(12-17)22-16-7-2-5-14(20)11-16;19-13-3-1-5-17(11-13)21-15-7-9-16(10-8-15)22-18-6-2-4-14(20)12-18;19-13-5-3-7-15(11-13)21-17-9-1-2-10-18(17)22-16-8-4-6-14(20)12-16;19-13-5-9-15(10-6-13)21-17-3-1-2-4-18(17)22-16-11-7-14(20)8-12-16;18-12-6-1-3-8-14(12)21-16-10-5-11-17(20-16)22-15-9-4-2-7-13(15)19;1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h4*1-12H,19-20H2;1-11H,18-19H2;3-8H,15-16H2,1-2H3
InChIKeyWGGLIHCTWAAHLV-UHFFFAOYSA-N
MW1674.97 g/mol
LogP24.71
Rot. Bonds21

About 4-(4-amino-3-methylphenyl)-2-methylaniline;3-[2-(3-aminophenoxy)phenoxy]aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;3-[4-(3-aminophenoxy)phenoxy]aniline;4-[2-(4-aminophenoxy)phenoxy]aniline;2-[[6-(2-aminophenoxy)-2-pyridinyl]oxy]aniline

4-(4-amino-3-methylphenyl)-2-methylaniline;3-[2-(3-aminophenoxy)phenoxy]aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;3-[4-(3-aminophenoxy)phenoxy]aniline;4-[2-(4-aminophenoxy)phenoxy]aniline;2-[[6-(2-aminophenoxy)-2-pyridinyl]oxy]aniline (PubChem CID 161496378) has the molecular formula C103H95N13O10 and a molecular weight of 1674.97 g/mol. Its IUPAC name is 4-(4-amino-3-methylphenyl)-2-methylaniline;3-[2-(3-aminophenoxy)phenoxy]aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;3-[4-(3-aminophenoxy)phenoxy]aniline;4-[2-(4-aminophenoxy)phenoxy]aniline;2-[[6-(2-aminophenoxy)-2-pyridinyl]oxy]aniline.

Molecular Properties

Compound Name4-(4-amino-3-methylphenyl)-2-methylaniline;3-[2-(3-aminophenoxy)phenoxy]aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;3-[4-(3-aminophenoxy)phenoxy]aniline;4-[2-(4-aminophenoxy)phenoxy]aniline;2-[[6-(2-aminophenoxy)-2-pyridinyl]oxy]aniline
PubChem CID161496378
Molecular FormulaC103H95N13O10
Molecular Weight1674.97 g/mol
Exact Mass1673.73
IUPAC Name4-(4-amino-3-methylphenyl)-2-methylaniline;3-[2-(3-aminophenoxy)phenoxy]aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;3-[4-(3-aminophenoxy)phenoxy]aniline;4-[2-(4-aminophenoxy)phenoxy]aniline;2-[[6-(2-aminophenoxy)-2-pyridinyl]oxy]aniline
SMILESCc1cc(-c2ccc(N)c(C)c2)ccc1N.Nc1ccc(Oc2ccccc2Oc2ccc(N)cc2)cc1.Nc1cccc(Oc2ccc(Oc3cccc(N)c3)cc2)c1.Nc1cccc(Oc2cccc(Oc3cccc(N)c3)c2)c1.Nc1cccc(Oc2ccccc2Oc2cccc(N)c2)c1.Nc1ccccc1Oc1cccc(Oc2ccccc2N)n1
InChIInChI=1S/4C18H16N2O2.C17H15N3O2.C14H16N2/c19-13-4-1-6-15(10-13)21-17-8-3-9-18(12-17)22-16-7-2-5-14(20)11-16;19-13-3-1-5-17(11-13)21-15-7-9-16(10-8-15)22-18-6-2-4-14(20)12-18;19-13-5-3-7-15(11-13)21-17-9-1-2-10-18(17)22-16-8-4-6-14(20)12-16;19-13-5-9-15(10-6-13)21-17-3-1-2-4-18(17)22-16-11-7-14(20)8-12-16;18-12-6-1-3-8-14(12)21-16-10-5-11-17(20-16)22-15-9-4-2-7-13(15)19;1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h4*1-12H,19-20H2;1-11H,18-19H2;3-8H,15-16H2,1-2H3
InChIKeyWGGLIHCTWAAHLV-UHFFFAOYSA-N
XLogP24.71
TPSA417.43 Ų
H-Bond Donors12
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001674.97
LogP ≤ 524.71
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(4-amino-3-methylphenyl)-2-methylaniline;3-[2-(3-aminophenoxy)phenoxy]aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;3-[4-(3-aminophenoxy)phenoxy]aniline;4-[2-(4-aminophenoxy)phenoxy]aniline;2-[[6-(2-aminophenoxy)-2-pyridinyl]oxy]aniline with MolForge

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Related Compounds

3-[2-(3-phenoxyphenoxy)phenoxy]aniline
CID 141038666
3-[2-[4-[3-[2-[3-[4-[2-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338477
2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338470
3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338441
3-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564
4-[4-amino-3-(3-aminophenoxy)phenyl]-2-(3-aminophenoxy)aniline
CID 102200409
4-[3-(4-aminophenoxy)phenoxy]aniline;toluene;hydrochloride
CID 70184053
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
3-[2-(3-aminophenoxy)phenoxy]aniline
CID 22184040
3-(3-phenoxyphenoxy)aniline
CID 68727404
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylphenyl)-2-methylaniline;3-[2-(3-aminophenoxy)phenoxy]aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;3-[4-(3-aminophenoxy)phenoxy]aniline;4-[2-(4-aminophenoxy)phenoxy]aniline;2-[[6-(2-aminophenoxy)-2-pyridinyl]oxy]aniline?
The IUPAC name of 4-(4-amino-3-methylphenyl)-2-methylaniline;3-[2-(3-aminophenoxy)phenoxy]aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;3-[4-(3-aminophenoxy)phenoxy]aniline;4-[2-(4-aminophenoxy)phenoxy]aniline;2-[[6-(2-aminophenoxy)-2-pyridinyl]oxy]aniline (CID 161496378) is 4-(4-amino-3-methylphenyl)-2-methylaniline;3-[2-(3-aminophenoxy)phenoxy]aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;3-[4-(3-aminophenoxy)phenoxy]aniline;4-[2-(4-aminophenoxy)phenoxy]aniline;2-[[6-(2-aminophenoxy)-2-pyridinyl]oxy]aniline.
What is the SMILES notation for 4-(4-amino-3-methylphenyl)-2-methylaniline;3-[2-(3-aminophenoxy)phenoxy]aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;3-[4-(3-aminophenoxy)phenoxy]aniline;4-[2-(4-aminophenoxy)phenoxy]aniline;2-[[6-(2-aminophenoxy)-2-pyridinyl]oxy]aniline?
The canonical SMILES for 4-(4-amino-3-methylphenyl)-2-methylaniline;3-[2-(3-aminophenoxy)phenoxy]aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;3-[4-(3-aminophenoxy)phenoxy]aniline;4-[2-(4-aminophenoxy)phenoxy]aniline;2-[[6-(2-aminophenoxy)-2-pyridinyl]oxy]aniline is Cc1cc(-c2ccc(N)c(C)c2)ccc1N.Nc1ccc(Oc2ccccc2Oc2ccc(N)cc2)cc1.Nc1cccc(Oc2ccc(Oc3cccc(N)c3)cc2)c1.Nc1cccc(Oc2cccc(Oc3cccc(N)c3)c2)c1.Nc1cccc(Oc2ccccc2Oc2cccc(N)c2)c1.Nc1ccccc1Oc1cccc(Oc2ccccc2N)n1.
What is the InChIKey of 4-(4-amino-3-methylphenyl)-2-methylaniline;3-[2-(3-aminophenoxy)phenoxy]aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;3-[4-(3-aminophenoxy)phenoxy]aniline;4-[2-(4-aminophenoxy)phenoxy]aniline;2-[[6-(2-aminophenoxy)-2-pyridinyl]oxy]aniline?
The InChIKey is WGGLIHCTWAAHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H16N2O2.C17H15N3O2.C14H16N2/c19-13-4-1-6-15(10-13)21-17-8-3-9-18(12-17)22-16-7-2-5-14(20)11-16;19-13-3-1-5-17(11-13)21-15-7-9-16(10-8-15)22-18-6-2-4-14(20)12-18;19-13-5-3-7-15(11-13)21-17-9-1-2-10-18(17)22-16-8-4-6-14(20)12-16;19-13-5-9-15(10-6-13)21-17-3-1-2-4-18(17)22-16-11-7-14(20)8-12-16;18-12-6-1-3-8-14(12)21-16-10-5-11-17(20-16)22-15-9-4-2-7-13(15)19;1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h4*1-12H,19-20H2;1-11H,18-19H2;3-8H,15-16H2,1-2H3.
What are the key properties of 4-(4-amino-3-methylphenyl)-2-methylaniline;3-[2-(3-aminophenoxy)phenoxy]aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;3-[4-(3-aminophenoxy)phenoxy]aniline;4-[2-(4-aminophenoxy)phenoxy]aniline;2-[[6-(2-aminophenoxy)-2-pyridinyl]oxy]aniline?
4-(4-amino-3-methylphenyl)-2-methylaniline;3-[2-(3-aminophenoxy)phenoxy]aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;3-[4-(3-aminophenoxy)phenoxy]aniline;4-[2-(4-aminophenoxy)phenoxy]aniline;2-[[6-(2-aminophenoxy)-2-pyridinyl]oxy]aniline has a molecular weight of 1674.97 g/mol, XLogP of 24.71, 21 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methylphenyl)-2-methylaniline;3-[2-(3-aminophenoxy)phenoxy]aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;3-[4-(3-aminophenoxy)phenoxy]aniline;4-[2-(4-aminophenoxy)phenoxy]aniline;2-[[6-(2-aminophenoxy)-2-pyridinyl]oxy]aniline is sourced from PubChem (CID 161496378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).