4-[(4-aminophenyl)methyl]aniline

C13H14N2 — CID 7577

IUPAC4-[(4-aminophenyl)methyl]aniline
SMILESNc1ccc(Cc2ccc(N)cc2)cc1
InChIInChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2
InChIKeyYBRVSVVVWCFQMG-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.44
Rot. Bonds2

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

4-[(4-aminophenyl)methyl]aniline (PubChem CID 7577) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-[(4-aminophenyl)methyl]aniline.

Molecular Properties

Compound Name4-[(4-aminophenyl)methyl]aniline
PubChem CID7577
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name4-[(4-aminophenyl)methyl]aniline
SMILESNc1ccc(Cc2ccc(N)cc2)cc1
InChIInChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2
InChIKeyYBRVSVVVWCFQMG-UHFFFAOYSA-N
XLogP2.44
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)methyl]aniline?
The IUPAC name of 4-[(4-aminophenyl)methyl]aniline (CID 7577) is 4-[(4-aminophenyl)methyl]aniline.
What is the SMILES notation for 4-[(4-aminophenyl)methyl]aniline?
The canonical SMILES for 4-[(4-aminophenyl)methyl]aniline is Nc1ccc(Cc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(4-aminophenyl)methyl]aniline?
The InChIKey is YBRVSVVVWCFQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2.
What are the key properties of 4-[(4-aminophenyl)methyl]aniline?
4-[(4-aminophenyl)methyl]aniline has a molecular weight of 198.27 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)methyl]aniline is sourced from PubChem (CID 7577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).