N-phenyl-4-propan-2-ylaniline

C15H17N — CID 21861

IUPACN-phenyl-4-propan-2-ylaniline
SMILESCC(C)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C15H17N/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14/h3-12,16H,1-2H3
InChIKeyHKQBGDOVZRQTMC-UHFFFAOYSA-N
MW211.31 g/mol
LogP4.55
Rot. Bonds3

About N-phenyl-4-propan-2-ylaniline

N-phenyl-4-propan-2-ylaniline (PubChem CID 21861) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is N-phenyl-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-phenyl-4-propan-2-ylaniline
PubChem CID21861
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC NameN-phenyl-4-propan-2-ylaniline
SMILESCC(C)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C15H17N/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14/h3-12,16H,1-2H3
InChIKeyHKQBGDOVZRQTMC-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-propan-2-ylaniline?
The IUPAC name of N-phenyl-4-propan-2-ylaniline (CID 21861) is N-phenyl-4-propan-2-ylaniline.
What is the SMILES notation for N-phenyl-4-propan-2-ylaniline?
The canonical SMILES for N-phenyl-4-propan-2-ylaniline is CC(C)c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-phenyl-4-propan-2-ylaniline?
The InChIKey is HKQBGDOVZRQTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14/h3-12,16H,1-2H3.
What are the key properties of N-phenyl-4-propan-2-ylaniline?
N-phenyl-4-propan-2-ylaniline has a molecular weight of 211.31 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-propan-2-ylaniline is sourced from PubChem (CID 21861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).