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

C16H21BrFN — CID 81033251

IUPACN-[[2-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
SMILESFc1cc(Br)ccc1CC1CCCC1CNC1CC1
InChIInChI=1S/C16H21BrFN/c17-14-5-4-12(16(18)9-14)8-11-2-1-3-13(11)10-19-15-6-7-15/h4-5,9,11,13,15,19H,1-3,6-8,10H2
InChIKeyLQJMVRZVGRQFMX-UHFFFAOYSA-N
MW326.25 g/mol
LogP4.30
Rot. Bonds5

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

N-[[2-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine (PubChem CID 81033251) has the molecular formula C16H21BrFN and a molecular weight of 326.25 g/mol. Its IUPAC name is N-[[2-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
PubChem CID81033251
Molecular FormulaC16H21BrFN
Molecular Weight326.25 g/mol
Exact Mass325.08
IUPAC NameN-[[2-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
SMILESFc1cc(Br)ccc1CC1CCCC1CNC1CC1
InChIInChI=1S/C16H21BrFN/c17-14-5-4-12(16(18)9-14)8-11-2-1-3-13(11)10-19-15-6-7-15/h4-5,9,11,13,15,19H,1-3,6-8,10H2
InChIKeyLQJMVRZVGRQFMX-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine (CID 81033251) is N-[[2-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine is Fc1cc(Br)ccc1CC1CCCC1CNC1CC1.
What is the InChIKey of N-[[2-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine?
The InChIKey is LQJMVRZVGRQFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrFN/c17-14-5-4-12(16(18)9-14)8-11-2-1-3-13(11)10-19-15-6-7-15/h4-5,9,11,13,15,19H,1-3,6-8,10H2.
What are the key properties of N-[[2-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine?
N-[[2-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine has a molecular weight of 326.25 g/mol, XLogP of 4.30, 5 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)methyl]cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 81033251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).