N-[3-(2-fluorophenyl)cyclobutyl]-2,5-dimethylpyrrol-1-amine

C16H19FN2 — CID 79089760

IUPACN-[3-(2-fluorophenyl)cyclobutyl]-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1NC1CC(c2ccccc2F)C1
InChIInChI=1S/C16H19FN2/c1-11-7-8-12(2)19(11)18-14-9-13(10-14)15-5-3-4-6-16(15)17/h3-8,13-14,18H,9-10H2,1-2H3
InChIKeyBDCRGROGFJDERW-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.73
Rot. Bonds3

About N-[3-(2-fluorophenyl)cyclobutyl]-2,5-dimethylpyrrol-1-amine

N-[3-(2-fluorophenyl)cyclobutyl]-2,5-dimethylpyrrol-1-amine (PubChem CID 79089760) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)cyclobutyl]-2,5-dimethylpyrrol-1-amine.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)cyclobutyl]-2,5-dimethylpyrrol-1-amine
PubChem CID79089760
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC NameN-[3-(2-fluorophenyl)cyclobutyl]-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1NC1CC(c2ccccc2F)C1
InChIInChI=1S/C16H19FN2/c1-11-7-8-12(2)19(11)18-14-9-13(10-14)15-5-3-4-6-16(15)17/h3-8,13-14,18H,9-10H2,1-2H3
InChIKeyBDCRGROGFJDERW-UHFFFAOYSA-N
XLogP3.73
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)cyclobutyl]-2,5-dimethylpyrrol-1-amine?
The IUPAC name of N-[3-(2-fluorophenyl)cyclobutyl]-2,5-dimethylpyrrol-1-amine (CID 79089760) is N-[3-(2-fluorophenyl)cyclobutyl]-2,5-dimethylpyrrol-1-amine.
What is the SMILES notation for N-[3-(2-fluorophenyl)cyclobutyl]-2,5-dimethylpyrrol-1-amine?
The canonical SMILES for N-[3-(2-fluorophenyl)cyclobutyl]-2,5-dimethylpyrrol-1-amine is Cc1ccc(C)n1NC1CC(c2ccccc2F)C1.
What is the InChIKey of N-[3-(2-fluorophenyl)cyclobutyl]-2,5-dimethylpyrrol-1-amine?
The InChIKey is BDCRGROGFJDERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-11-7-8-12(2)19(11)18-14-9-13(10-14)15-5-3-4-6-16(15)17/h3-8,13-14,18H,9-10H2,1-2H3.
What are the key properties of N-[3-(2-fluorophenyl)cyclobutyl]-2,5-dimethylpyrrol-1-amine?
N-[3-(2-fluorophenyl)cyclobutyl]-2,5-dimethylpyrrol-1-amine has a molecular weight of 258.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)cyclobutyl]-2,5-dimethylpyrrol-1-amine is sourced from PubChem (CID 79089760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).