2-[2-(aminomethyl)phenyl]-6-phenylaniline

C19H18N2 — CID 151108542

IUPAC2-[2-(aminomethyl)phenyl]-6-phenylaniline
SMILESNCc1ccccc1-c1cccc(-c2ccccc2)c1N
InChIInChI=1S/C19H18N2/c20-13-15-9-4-5-10-16(15)18-12-6-11-17(19(18)21)14-7-2-1-3-8-14/h1-12H,13,20-21H2
InChIKeyMPPSWTWTDLZHQO-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.06
Rot. Bonds3

About 2-[2-(aminomethyl)phenyl]-6-phenylaniline

2-[2-(aminomethyl)phenyl]-6-phenylaniline (PubChem CID 151108542) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-6-phenylaniline.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-6-phenylaniline
PubChem CID151108542
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name2-[2-(aminomethyl)phenyl]-6-phenylaniline
SMILESNCc1ccccc1-c1cccc(-c2ccccc2)c1N
InChIInChI=1S/C19H18N2/c20-13-15-9-4-5-10-16(15)18-12-6-11-17(19(18)21)14-7-2-1-3-8-14/h1-12H,13,20-21H2
InChIKeyMPPSWTWTDLZHQO-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
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-(aminomethyl)phenyl]-6-phenylaniline?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-6-phenylaniline (CID 151108542) is 2-[2-(aminomethyl)phenyl]-6-phenylaniline.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-6-phenylaniline?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-6-phenylaniline is NCc1ccccc1-c1cccc(-c2ccccc2)c1N.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-6-phenylaniline?
The InChIKey is MPPSWTWTDLZHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c20-13-15-9-4-5-10-16(15)18-12-6-11-17(19(18)21)14-7-2-1-3-8-14/h1-12H,13,20-21H2.
What are the key properties of 2-[2-(aminomethyl)phenyl]-6-phenylaniline?
2-[2-(aminomethyl)phenyl]-6-phenylaniline has a molecular weight of 274.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-6-phenylaniline is sourced from PubChem (CID 151108542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).