N-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine

C11H13BrN2 — CID 79508993

IUPACN-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESBrc1ccccc1CNC1=NCCC1
InChIInChI=1S/C11H13BrN2/c12-10-5-2-1-4-9(10)8-14-11-6-3-7-13-11/h1-2,4-5H,3,6-8H2,(H,13,14)
InChIKeyJIROLRDJGKZLQM-UHFFFAOYSA-N
MW253.14 g/mol
LogP2.73
Rot. Bonds2

About N-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 79508993) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID79508993
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC NameN-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESBrc1ccccc1CNC1=NCCC1
InChIInChI=1S/C11H13BrN2/c12-10-5-2-1-4-9(10)8-14-11-6-3-7-13-11/h1-2,4-5H,3,6-8H2,(H,13,14)
InChIKeyJIROLRDJGKZLQM-UHFFFAOYSA-N
XLogP2.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 79508993) is N-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine is Brc1ccccc1CNC1=NCCC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is JIROLRDJGKZLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c12-10-5-2-1-4-9(10)8-14-11-6-3-7-13-11/h1-2,4-5H,3,6-8H2,(H,13,14).
What are the key properties of N-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 253.14 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 79508993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).