2-[(4-aminophenyl)methyl]aniline

C13H14N2 — CID 14580

IUPAC2-[(4-aminophenyl)methyl]aniline
SMILESNc1ccc(Cc2ccccc2N)cc1
InChIInChI=1S/C13H14N2/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h1-8H,9,14-15H2
InChIKeyUTNMPUFESIRPQP-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.44
Rot. Bonds2

About 2-[(4-aminophenyl)methyl]aniline

2-[(4-aminophenyl)methyl]aniline (PubChem CID 14580) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl]aniline.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl]aniline
PubChem CID14580
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name2-[(4-aminophenyl)methyl]aniline
SMILESNc1ccc(Cc2ccccc2N)cc1
InChIInChI=1S/C13H14N2/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h1-8H,9,14-15H2
InChIKeyUTNMPUFESIRPQP-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': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl]aniline?
The IUPAC name of 2-[(4-aminophenyl)methyl]aniline (CID 14580) is 2-[(4-aminophenyl)methyl]aniline.
What is the SMILES notation for 2-[(4-aminophenyl)methyl]aniline?
The canonical SMILES for 2-[(4-aminophenyl)methyl]aniline is Nc1ccc(Cc2ccccc2N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methyl]aniline?
The InChIKey is UTNMPUFESIRPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h1-8H,9,14-15H2.
What are the key properties of 2-[(4-aminophenyl)methyl]aniline?
2-[(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 2-[(4-aminophenyl)methyl]aniline is sourced from PubChem (CID 14580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).