N-phenylaniline

C12H11N — CID 11487

IUPACN-phenylaniline
SMILESc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H
InChIKeyDMBHHRLKUKUOEG-UHFFFAOYSA-N
MW169.23 g/mol
LogP3.43
Rot. Bonds2

About N-phenylaniline

N-phenylaniline (PubChem CID 11487) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is N-phenylaniline.

Molecular Properties

Compound NameN-phenylaniline
PubChem CID11487
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC NameN-phenylaniline
SMILESc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H
InChIKeyDMBHHRLKUKUOEG-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-phenylaniline?
The IUPAC name of N-phenylaniline (CID 11487) is N-phenylaniline.
What is the SMILES notation for N-phenylaniline?
The canonical SMILES for N-phenylaniline is c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-phenylaniline?
The InChIKey is DMBHHRLKUKUOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H.
What are the key properties of N-phenylaniline?
N-phenylaniline has a molecular weight of 169.23 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylaniline is sourced from PubChem (CID 11487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).