2-(2-aminophenyl)-3-benzylaniline

C19H18N2 — CID 139509326

IUPAC2-(2-aminophenyl)-3-benzylaniline
SMILESNc1ccccc1-c1c(N)cccc1Cc1ccccc1
InChIInChI=1S/C19H18N2/c20-17-11-5-4-10-16(17)19-15(9-6-12-18(19)21)13-14-7-2-1-3-8-14/h1-12H,13,20-21H2
InChIKeyZRBCEQMKWLCOLA-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.11
Rot. Bonds3

About 2-(2-aminophenyl)-3-benzylaniline

2-(2-aminophenyl)-3-benzylaniline (PubChem CID 139509326) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(2-aminophenyl)-3-benzylaniline.

Molecular Properties

Compound Name2-(2-aminophenyl)-3-benzylaniline
PubChem CID139509326
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name2-(2-aminophenyl)-3-benzylaniline
SMILESNc1ccccc1-c1c(N)cccc1Cc1ccccc1
InChIInChI=1S/C19H18N2/c20-17-11-5-4-10-16(17)19-15(9-6-12-18(19)21)13-14-7-2-1-3-8-14/h1-12H,13,20-21H2
InChIKeyZRBCEQMKWLCOLA-UHFFFAOYSA-N
XLogP4.11
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-3-benzylaniline?
The IUPAC name of 2-(2-aminophenyl)-3-benzylaniline (CID 139509326) is 2-(2-aminophenyl)-3-benzylaniline.
What is the SMILES notation for 2-(2-aminophenyl)-3-benzylaniline?
The canonical SMILES for 2-(2-aminophenyl)-3-benzylaniline is Nc1ccccc1-c1c(N)cccc1Cc1ccccc1.
What is the InChIKey of 2-(2-aminophenyl)-3-benzylaniline?
The InChIKey is ZRBCEQMKWLCOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c20-17-11-5-4-10-16(17)19-15(9-6-12-18(19)21)13-14-7-2-1-3-8-14/h1-12H,13,20-21H2.
What are the key properties of 2-(2-aminophenyl)-3-benzylaniline?
2-(2-aminophenyl)-3-benzylaniline has a molecular weight of 274.37 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-3-benzylaniline is sourced from PubChem (CID 139509326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).