N-[3-(4-bromophenyl)cyclobutyl]pyrrol-1-amine

C14H15BrN2 — CID 79089649

IUPACN-[3-(4-bromophenyl)cyclobutyl]pyrrol-1-amine
SMILESBrc1ccc(C2CC(Nn3cccc3)C2)cc1
InChIInChI=1S/C14H15BrN2/c15-13-5-3-11(4-6-13)12-9-14(10-12)16-17-7-1-2-8-17/h1-8,12,14,16H,9-10H2
InChIKeyCPYIIKOWIDMGBN-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.74
Rot. Bonds3

About N-[3-(4-bromophenyl)cyclobutyl]pyrrol-1-amine

N-[3-(4-bromophenyl)cyclobutyl]pyrrol-1-amine (PubChem CID 79089649) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)cyclobutyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)cyclobutyl]pyrrol-1-amine
PubChem CID79089649
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC NameN-[3-(4-bromophenyl)cyclobutyl]pyrrol-1-amine
SMILESBrc1ccc(C2CC(Nn3cccc3)C2)cc1
InChIInChI=1S/C14H15BrN2/c15-13-5-3-11(4-6-13)12-9-14(10-12)16-17-7-1-2-8-17/h1-8,12,14,16H,9-10H2
InChIKeyCPYIIKOWIDMGBN-UHFFFAOYSA-N
XLogP3.74
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)cyclobutyl]pyrrol-1-amine?
The IUPAC name of N-[3-(4-bromophenyl)cyclobutyl]pyrrol-1-amine (CID 79089649) is N-[3-(4-bromophenyl)cyclobutyl]pyrrol-1-amine.
What is the SMILES notation for N-[3-(4-bromophenyl)cyclobutyl]pyrrol-1-amine?
The canonical SMILES for N-[3-(4-bromophenyl)cyclobutyl]pyrrol-1-amine is Brc1ccc(C2CC(Nn3cccc3)C2)cc1.
What is the InChIKey of N-[3-(4-bromophenyl)cyclobutyl]pyrrol-1-amine?
The InChIKey is CPYIIKOWIDMGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c15-13-5-3-11(4-6-13)12-9-14(10-12)16-17-7-1-2-8-17/h1-8,12,14,16H,9-10H2.
What are the key properties of N-[3-(4-bromophenyl)cyclobutyl]pyrrol-1-amine?
N-[3-(4-bromophenyl)cyclobutyl]pyrrol-1-amine has a molecular weight of 291.19 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)cyclobutyl]pyrrol-1-amine is sourced from PubChem (CID 79089649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).