N-[[2-(4-bromo-2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine

C14H17BrFN — CID 82974071

IUPACN-[[2-(4-bromo-2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine
SMILESCC1(c2ccc(Br)cc2F)CC1CNC1CC1
InChIInChI=1S/C14H17BrFN/c1-14(7-9(14)8-17-11-3-4-11)12-5-2-10(15)6-13(12)16/h2,5-6,9,11,17H,3-4,7-8H2,1H3
InChIKeyPKDWVQBJHJHASR-UHFFFAOYSA-N
MW298.20 g/mol
LogP3.62
Rot. Bonds4

About N-[[2-(4-bromo-2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine

N-[[2-(4-bromo-2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine (PubChem CID 82974071) has the molecular formula C14H17BrFN and a molecular weight of 298.20 g/mol. Its IUPAC name is N-[[2-(4-bromo-2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-bromo-2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine
PubChem CID82974071
Molecular FormulaC14H17BrFN
Molecular Weight298.20 g/mol
Exact Mass297.05
IUPAC NameN-[[2-(4-bromo-2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine
SMILESCC1(c2ccc(Br)cc2F)CC1CNC1CC1
InChIInChI=1S/C14H17BrFN/c1-14(7-9(14)8-17-11-3-4-11)12-5-2-10(15)6-13(12)16/h2,5-6,9,11,17H,3-4,7-8H2,1H3
InChIKeyPKDWVQBJHJHASR-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-(4-bromo-2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine 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 N-[[2-(4-bromo-2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-bromo-2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine (CID 82974071) is N-[[2-(4-bromo-2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-bromo-2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-bromo-2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine is CC1(c2ccc(Br)cc2F)CC1CNC1CC1.
What is the InChIKey of N-[[2-(4-bromo-2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine?
The InChIKey is PKDWVQBJHJHASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN/c1-14(7-9(14)8-17-11-3-4-11)12-5-2-10(15)6-13(12)16/h2,5-6,9,11,17H,3-4,7-8H2,1H3.
What are the key properties of N-[[2-(4-bromo-2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine?
N-[[2-(4-bromo-2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine has a molecular weight of 298.20 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromo-2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine is sourced from PubChem (CID 82974071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).