N-[1-(aminomethyl)cyclopropyl]-2-bromoaniline

C10H13BrN2 — CID 106661284

IUPACN-[1-(aminomethyl)cyclopropyl]-2-bromoaniline
SMILESNCC1(Nc2ccccc2Br)CC1
InChIInChI=1S/C10H13BrN2/c11-8-3-1-2-4-9(8)13-10(7-12)5-6-10/h1-4,13H,5-7,12H2
InChIKeyLJVPXISYGRKUNL-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.35
Rot. Bonds3

About N-[1-(aminomethyl)cyclopropyl]-2-bromoaniline

N-[1-(aminomethyl)cyclopropyl]-2-bromoaniline (PubChem CID 106661284) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopropyl]-2-bromoaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopropyl]-2-bromoaniline
PubChem CID106661284
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC NameN-[1-(aminomethyl)cyclopropyl]-2-bromoaniline
SMILESNCC1(Nc2ccccc2Br)CC1
InChIInChI=1S/C10H13BrN2/c11-8-3-1-2-4-9(8)13-10(7-12)5-6-10/h1-4,13H,5-7,12H2
InChIKeyLJVPXISYGRKUNL-UHFFFAOYSA-N
XLogP2.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopropyl]-2-bromoaniline?
The IUPAC name of N-[1-(aminomethyl)cyclopropyl]-2-bromoaniline (CID 106661284) is N-[1-(aminomethyl)cyclopropyl]-2-bromoaniline.
What is the SMILES notation for N-[1-(aminomethyl)cyclopropyl]-2-bromoaniline?
The canonical SMILES for N-[1-(aminomethyl)cyclopropyl]-2-bromoaniline is NCC1(Nc2ccccc2Br)CC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopropyl]-2-bromoaniline?
The InChIKey is LJVPXISYGRKUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c11-8-3-1-2-4-9(8)13-10(7-12)5-6-10/h1-4,13H,5-7,12H2.
What are the key properties of N-[1-(aminomethyl)cyclopropyl]-2-bromoaniline?
N-[1-(aminomethyl)cyclopropyl]-2-bromoaniline has a molecular weight of 241.13 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopropyl]-2-bromoaniline is sourced from PubChem (CID 106661284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).