N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine

C14H16F2N2 — CID 79089751

IUPACN-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1NC(C)c1c(F)cccc1F
InChIInChI=1S/C14H16F2N2/c1-9-7-8-10(2)18(9)17-11(3)14-12(15)5-4-6-13(14)16/h4-8,11,17H,1-3H3
InChIKeyCFBVZWDYERAKRE-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.69
Rot. Bonds3

About N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine

N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine (PubChem CID 79089751) has the molecular formula C14H16F2N2 and a molecular weight of 250.29 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine
PubChem CID79089751
Molecular FormulaC14H16F2N2
Molecular Weight250.29 g/mol
Exact Mass250.13
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1NC(C)c1c(F)cccc1F
InChIInChI=1S/C14H16F2N2/c1-9-7-8-10(2)18(9)17-11(3)14-12(15)5-4-6-13(14)16/h4-8,11,17H,1-3H3
InChIKeyCFBVZWDYERAKRE-UHFFFAOYSA-N
XLogP3.69
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine (CID 79089751) is N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine is Cc1ccc(C)n1NC(C)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine?
The InChIKey is CFBVZWDYERAKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2/c1-9-7-8-10(2)18(9)17-11(3)14-12(15)5-4-6-13(14)16/h4-8,11,17H,1-3H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine?
N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine has a molecular weight of 250.29 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine is sourced from PubChem (CID 79089751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).