N-[3-(4-bromo-2-fluorophenyl)-2-cyclopentylpropyl]cyclopropanamine

C17H23BrFN — CID 115926774

IUPACN-[3-(4-bromo-2-fluorophenyl)-2-cyclopentylpropyl]cyclopropanamine
SMILESFc1cc(Br)ccc1CC(CNC1CC1)C1CCCC1
InChIInChI=1S/C17H23BrFN/c18-15-6-5-13(17(19)10-15)9-14(11-20-16-7-8-16)12-3-1-2-4-12/h5-6,10,12,14,16,20H,1-4,7-9,11H2
InChIKeySTUHXHZVTCUACU-UHFFFAOYSA-N
MW340.28 g/mol
LogP4.69
Rot. Bonds6

About N-[3-(4-bromo-2-fluorophenyl)-2-cyclopentylpropyl]cyclopropanamine

N-[3-(4-bromo-2-fluorophenyl)-2-cyclopentylpropyl]cyclopropanamine (PubChem CID 115926774) has the molecular formula C17H23BrFN and a molecular weight of 340.28 g/mol. Its IUPAC name is N-[3-(4-bromo-2-fluorophenyl)-2-cyclopentylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-bromo-2-fluorophenyl)-2-cyclopentylpropyl]cyclopropanamine
PubChem CID115926774
Molecular FormulaC17H23BrFN
Molecular Weight340.28 g/mol
Exact Mass339.10
IUPAC NameN-[3-(4-bromo-2-fluorophenyl)-2-cyclopentylpropyl]cyclopropanamine
SMILESFc1cc(Br)ccc1CC(CNC1CC1)C1CCCC1
InChIInChI=1S/C17H23BrFN/c18-15-6-5-13(17(19)10-15)9-14(11-20-16-7-8-16)12-3-1-2-4-12/h5-6,10,12,14,16,20H,1-4,7-9,11H2
InChIKeySTUHXHZVTCUACU-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-cycloheptylethanamine
CID 65399396
N-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine
CID 104819277
N-[(4-bromo-2-fluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 115619711
3-(5-bromo-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
CID 115926904
N-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 62528286
1-(4-bromo-2-fluorophenyl)-3-cyclopentylsulfanylpropan-2-amine
CID 65138710
N-(2-cycloheptyl-3-phenylpropyl)cyclopropanamine
CID 82932346
4-(4-bromo-2-fluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 81015367
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine
CID 80627565
N-[2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
CID 63497972
N-[2-(4-bromo-2-fluorophenoxy)propyl]cyclohexanamine
CID 55092968
3-(4-bromo-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one
CID 103457440

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-2-fluorophenyl)-2-cyclopentylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(4-bromo-2-fluorophenyl)-2-cyclopentylpropyl]cyclopropanamine (CID 115926774) is N-[3-(4-bromo-2-fluorophenyl)-2-cyclopentylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-bromo-2-fluorophenyl)-2-cyclopentylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-bromo-2-fluorophenyl)-2-cyclopentylpropyl]cyclopropanamine is Fc1cc(Br)ccc1CC(CNC1CC1)C1CCCC1.
What is the InChIKey of N-[3-(4-bromo-2-fluorophenyl)-2-cyclopentylpropyl]cyclopropanamine?
The InChIKey is STUHXHZVTCUACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrFN/c18-15-6-5-13(17(19)10-15)9-14(11-20-16-7-8-16)12-3-1-2-4-12/h5-6,10,12,14,16,20H,1-4,7-9,11H2.
What are the key properties of N-[3-(4-bromo-2-fluorophenyl)-2-cyclopentylpropyl]cyclopropanamine?
N-[3-(4-bromo-2-fluorophenyl)-2-cyclopentylpropyl]cyclopropanamine has a molecular weight of 340.28 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-2-fluorophenyl)-2-cyclopentylpropyl]cyclopropanamine is sourced from PubChem (CID 115926774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).