4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline

C25H26N4 — CID 22262965

IUPAC4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline
SMILESNc1ccc(-c2ccc(N)cc2)cc1.Nc1ccc(Cc2ccc(N)cc2)cc1
InChIInChI=1S/C13H14N2.C12H12N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,9,14-15H2;1-8H,13-14H2
InChIKeyALRXNVSZLYANIV-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.96
Rot. Bonds3

About 4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline

4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline (PubChem CID 22262965) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline.

Molecular Properties

Compound Name4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline
PubChem CID22262965
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC Name4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline
SMILESNc1ccc(-c2ccc(N)cc2)cc1.Nc1ccc(Cc2ccc(N)cc2)cc1
InChIInChI=1S/C13H14N2.C12H12N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,9,14-15H2;1-8H,13-14H2
InChIKeyALRXNVSZLYANIV-UHFFFAOYSA-N
XLogP4.96
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline
CID 22315939
4-[(4-aminophenyl)methyl]aniline;methane
CID 141439099
4-[(4-aminophenyl)methyl]aniline;hydrazine
CID 70467747
4-[(4-ethylphenyl)methyl]aniline
CID 39242922
4-(4-aminophenyl)aniline;tetrahydrochloride
CID 68733336
4-[(4-aminophenyl)methyl]aniline;isocyanic acid
CID 172777036
4-[(4-aminophenyl)methyl]benzene-1,2-diamine
CID 22022535
1-bromo-4-phenylbenzene;4-methylaniline;1-methyl-4-[(4-phenylphenyl)methyl]benzene
CID 161391373
5-[[4-[4-(4-methylphenyl)phenyl]phenyl]methyl]benzene-1,3-diamine
CID 144764080
4-ethylaniline;methane;4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline
CID 157414016
4-[(4-tert-butylphenyl)methyl]aniline
CID 12587648
4-[4-(4-prop-2-enylphenyl)phenyl]aniline
CID 123704346

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline?
The IUPAC name of 4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline (CID 22262965) is 4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline.
What is the SMILES notation for 4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline?
The canonical SMILES for 4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline is Nc1ccc(-c2ccc(N)cc2)cc1.Nc1ccc(Cc2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline?
The InChIKey is ALRXNVSZLYANIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.C12H12N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,9,14-15H2;1-8H,13-14H2.
What are the key properties of 4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline?
4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline has a molecular weight of 382.51 g/mol, XLogP of 4.96, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline is sourced from PubChem (CID 22262965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).