N-methyl-2-(1H-pyrrol-2-yl)aniline

C11H12N2 — CID 163362412

IUPACN-methyl-2-(1H-pyrrol-2-yl)aniline
SMILESCNc1ccccc1-c1ccc[nH]1
InChIInChI=1S/C11H12N2/c1-12-10-6-3-2-5-9(10)11-7-4-8-13-11/h2-8,12-13H,1H3
InChIKeyCDKOXVZBKVXZGY-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.72
Rot. Bonds2

About N-methyl-2-(1H-pyrrol-2-yl)aniline

N-methyl-2-(1H-pyrrol-2-yl)aniline (PubChem CID 163362412) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-methyl-2-(1H-pyrrol-2-yl)aniline.

Molecular Properties

Compound NameN-methyl-2-(1H-pyrrol-2-yl)aniline
PubChem CID163362412
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC NameN-methyl-2-(1H-pyrrol-2-yl)aniline
SMILESCNc1ccccc1-c1ccc[nH]1
InChIInChI=1S/C11H12N2/c1-12-10-6-3-2-5-9(10)11-7-4-8-13-11/h2-8,12-13H,1H3
InChIKeyCDKOXVZBKVXZGY-UHFFFAOYSA-N
XLogP2.72
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1H-pyrrol-2-yl)aniline?
The IUPAC name of N-methyl-2-(1H-pyrrol-2-yl)aniline (CID 163362412) is N-methyl-2-(1H-pyrrol-2-yl)aniline.
What is the SMILES notation for N-methyl-2-(1H-pyrrol-2-yl)aniline?
The canonical SMILES for N-methyl-2-(1H-pyrrol-2-yl)aniline is CNc1ccccc1-c1ccc[nH]1.
What is the InChIKey of N-methyl-2-(1H-pyrrol-2-yl)aniline?
The InChIKey is CDKOXVZBKVXZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-12-10-6-3-2-5-9(10)11-7-4-8-13-11/h2-8,12-13H,1H3.
What are the key properties of N-methyl-2-(1H-pyrrol-2-yl)aniline?
N-methyl-2-(1H-pyrrol-2-yl)aniline has a molecular weight of 172.23 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1H-pyrrol-2-yl)aniline is sourced from PubChem (CID 163362412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).