1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride

C11H17BrClN — CID 66919211

IUPAC1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride
SMILESBrc1ccc(C2CC2)cc1.CNC.Cl
InChIInChI=1S/C9H9Br.C2H7N.ClH/c10-9-5-3-8(4-6-9)7-1-2-7;1-3-2;/h3-7H,1-2H2;3H,1-2H3;1H
InChIKeyXXUIXOXXSJNTOY-UHFFFAOYSA-N
MW278.62 g/mol
LogP3.58
Rot. Bonds1

About 1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride

1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride (PubChem CID 66919211) has the molecular formula C11H17BrClN and a molecular weight of 278.62 g/mol. Its IUPAC name is 1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride
PubChem CID66919211
Molecular FormulaC11H17BrClN
Molecular Weight278.62 g/mol
Exact Mass277.02
IUPAC Name1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride
SMILESBrc1ccc(C2CC2)cc1.CNC.Cl
InChIInChI=1S/C9H9Br.C2H7N.ClH/c10-9-5-3-8(4-6-9)7-1-2-7;1-3-2;/h3-7H,1-2H2;3H,1-2H3;1H
InChIKeyXXUIXOXXSJNTOY-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.62
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride?
The IUPAC name of 1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride (CID 66919211) is 1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride is Brc1ccc(C2CC2)cc1.CNC.Cl.
What is the InChIKey of 1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride?
The InChIKey is XXUIXOXXSJNTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br.C2H7N.ClH/c10-9-5-3-8(4-6-9)7-1-2-7;1-3-2;/h3-7H,1-2H2;3H,1-2H3;1H.
What are the key properties of 1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride?
1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride has a molecular weight of 278.62 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride is sourced from PubChem (CID 66919211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).