N-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine

C14H17FN2 — CID 79089848

IUPACN-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1NC(C)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2/c1-10-4-5-11(2)17(10)16-12(3)13-6-8-14(15)9-7-13/h4-9,12,16H,1-3H3
InChIKeyFYAXQIXIMHRYMG-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.55
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine

N-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine (PubChem CID 79089848) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine
PubChem CID79089848
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1NC(C)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2/c1-10-4-5-11(2)17(10)16-12(3)13-6-8-14(15)9-7-13/h4-9,12,16H,1-3H3
InChIKeyFYAXQIXIMHRYMG-UHFFFAOYSA-N
XLogP3.55
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine (CID 79089848) is N-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine is Cc1ccc(C)n1NC(C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine?
The InChIKey is FYAXQIXIMHRYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-10-4-5-11(2)17(10)16-12(3)13-6-8-14(15)9-7-13/h4-9,12,16H,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine?
N-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine has a molecular weight of 232.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine is sourced from PubChem (CID 79089848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).