2-(aminomethyl)-5-bromoaniline

C7H9BrN2 — CID 22391314

IUPAC2-(aminomethyl)-5-bromoaniline
SMILESNCc1ccc(Br)cc1N
InChIInChI=1S/C7H9BrN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,4,9-10H2
InChIKeyQIQCECRSRHMTQN-UHFFFAOYSA-N
MW201.07 g/mol
LogP1.49
Rot. Bonds1

About 2-(aminomethyl)-5-bromoaniline

2-(aminomethyl)-5-bromoaniline (PubChem CID 22391314) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is 2-(aminomethyl)-5-bromoaniline.

Molecular Properties

Compound Name2-(aminomethyl)-5-bromoaniline
PubChem CID22391314
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name2-(aminomethyl)-5-bromoaniline
SMILESNCc1ccc(Br)cc1N
InChIInChI=1S/C7H9BrN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,4,9-10H2
InChIKeyQIQCECRSRHMTQN-UHFFFAOYSA-N
XLogP1.49
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-bromoaniline?
The IUPAC name of 2-(aminomethyl)-5-bromoaniline (CID 22391314) is 2-(aminomethyl)-5-bromoaniline.
What is the SMILES notation for 2-(aminomethyl)-5-bromoaniline?
The canonical SMILES for 2-(aminomethyl)-5-bromoaniline is NCc1ccc(Br)cc1N.
What is the InChIKey of 2-(aminomethyl)-5-bromoaniline?
The InChIKey is QIQCECRSRHMTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,4,9-10H2.
What are the key properties of 2-(aminomethyl)-5-bromoaniline?
2-(aminomethyl)-5-bromoaniline has a molecular weight of 201.07 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-bromoaniline is sourced from PubChem (CID 22391314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).