N-phenyl-N-propan-2-ylaniline

C15H17N — CID 14928402

IUPACN-phenyl-N-propan-2-ylaniline
SMILESCC(C)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17N/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKeyFEQIKDBPUQIQKY-UHFFFAOYSA-N
MW211.31 g/mol
LogP4.23
Rot. Bonds3

About N-phenyl-N-propan-2-ylaniline

N-phenyl-N-propan-2-ylaniline (PubChem CID 14928402) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is N-phenyl-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-phenyl-N-propan-2-ylaniline
PubChem CID14928402
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC NameN-phenyl-N-propan-2-ylaniline
SMILESCC(C)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17N/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKeyFEQIKDBPUQIQKY-UHFFFAOYSA-N
XLogP4.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-propan-2-ylaniline?
The IUPAC name of N-phenyl-N-propan-2-ylaniline (CID 14928402) is N-phenyl-N-propan-2-ylaniline.
What is the SMILES notation for N-phenyl-N-propan-2-ylaniline?
The canonical SMILES for N-phenyl-N-propan-2-ylaniline is CC(C)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N-phenyl-N-propan-2-ylaniline?
The InChIKey is FEQIKDBPUQIQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3.
What are the key properties of N-phenyl-N-propan-2-ylaniline?
N-phenyl-N-propan-2-ylaniline has a molecular weight of 211.31 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-propan-2-ylaniline is sourced from PubChem (CID 14928402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).