[1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine

C15H22BrN — CID 117477395

IUPAC[1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine
SMILESCCC(CC)c1ccc(C2(CN)CC2)cc1Br
InChIInChI=1S/C15H22BrN/c1-3-11(4-2)13-6-5-12(9-14(13)16)15(10-17)7-8-15/h5-6,9,11H,3-4,7-8,10,17H2,1-2H3
InChIKeyUBCAHBLYFPPLBD-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.34
Rot. Bonds5

About [1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine

[1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine (PubChem CID 117477395) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is [1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine
PubChem CID117477395
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name[1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine
SMILESCCC(CC)c1ccc(C2(CN)CC2)cc1Br
InChIInChI=1S/C15H22BrN/c1-3-11(4-2)13-6-5-12(9-14(13)16)15(10-17)7-8-15/h5-6,9,11H,3-4,7-8,10,17H2,1-2H3
InChIKeyUBCAHBLYFPPLBD-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine 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-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine (CID 117477395) is [1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine is CCC(CC)c1ccc(C2(CN)CC2)cc1Br.
What is the InChIKey of [1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine?
The InChIKey is UBCAHBLYFPPLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-3-11(4-2)13-6-5-12(9-14(13)16)15(10-17)7-8-15/h5-6,9,11H,3-4,7-8,10,17H2,1-2H3.
What are the key properties of [1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine?
[1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine has a molecular weight of 296.25 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117477395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).