N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrrol-1-amine

C13H14F2N2 — CID 79090918

IUPACN-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1NCc1cccc(F)c1F
InChIInChI=1S/C13H14F2N2/c1-9-6-7-10(2)17(9)16-8-11-4-3-5-12(14)13(11)15/h3-7,16H,8H2,1-2H3
InChIKeyVBEOCZQWNNBDRI-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.13
Rot. Bonds3

About N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrrol-1-amine

N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrrol-1-amine (PubChem CID 79090918) has the molecular formula C13H14F2N2 and a molecular weight of 236.26 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrrol-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrrol-1-amine
PubChem CID79090918
Molecular FormulaC13H14F2N2
Molecular Weight236.26 g/mol
Exact Mass236.11
IUPAC NameN-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1NCc1cccc(F)c1F
InChIInChI=1S/C13H14F2N2/c1-9-6-7-10(2)17(9)16-8-11-4-3-5-12(14)13(11)15/h3-7,16H,8H2,1-2H3
InChIKeyVBEOCZQWNNBDRI-UHFFFAOYSA-N
XLogP3.13
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrrol-1-amine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrrol-1-amine (CID 79090918) is N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrrol-1-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrrol-1-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrrol-1-amine is Cc1ccc(C)n1NCc1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrrol-1-amine?
The InChIKey is VBEOCZQWNNBDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2/c1-9-6-7-10(2)17(9)16-8-11-4-3-5-12(14)13(11)15/h3-7,16H,8H2,1-2H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrrol-1-amine?
N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrrol-1-amine has a molecular weight of 236.26 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrrol-1-amine is sourced from PubChem (CID 79090918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).