N-propan-2-yl-3-pyrrol-1-ylaniline

C13H16N2 — CID 43733059

IUPACN-propan-2-yl-3-pyrrol-1-ylaniline
SMILESCC(C)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C13H16N2/c1-11(2)14-12-6-5-7-13(10-12)15-8-3-4-9-15/h3-11,14H,1-2H3
InChIKeyPOXFJTRKOXPYHW-UHFFFAOYSA-N
MW200.29 g/mol
LogP3.30
Rot. Bonds3

About N-propan-2-yl-3-pyrrol-1-ylaniline

N-propan-2-yl-3-pyrrol-1-ylaniline (PubChem CID 43733059) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is N-propan-2-yl-3-pyrrol-1-ylaniline.

Molecular Properties

Compound NameN-propan-2-yl-3-pyrrol-1-ylaniline
PubChem CID43733059
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC NameN-propan-2-yl-3-pyrrol-1-ylaniline
SMILESCC(C)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C13H16N2/c1-11(2)14-12-6-5-7-13(10-12)15-8-3-4-9-15/h3-11,14H,1-2H3
InChIKeyPOXFJTRKOXPYHW-UHFFFAOYSA-N
XLogP3.30
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-pyrrol-1-ylaniline?
The IUPAC name of N-propan-2-yl-3-pyrrol-1-ylaniline (CID 43733059) is N-propan-2-yl-3-pyrrol-1-ylaniline.
What is the SMILES notation for N-propan-2-yl-3-pyrrol-1-ylaniline?
The canonical SMILES for N-propan-2-yl-3-pyrrol-1-ylaniline is CC(C)Nc1cccc(-n2cccc2)c1.
What is the InChIKey of N-propan-2-yl-3-pyrrol-1-ylaniline?
The InChIKey is POXFJTRKOXPYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-11(2)14-12-6-5-7-13(10-12)15-8-3-4-9-15/h3-11,14H,1-2H3.
What are the key properties of N-propan-2-yl-3-pyrrol-1-ylaniline?
N-propan-2-yl-3-pyrrol-1-ylaniline has a molecular weight of 200.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-pyrrol-1-ylaniline is sourced from PubChem (CID 43733059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).