N-[5-(4-bromo-2-fluorophenoxy)pentyl]cyclopropanamine

C14H19BrFNO — CID 55077009

IUPACN-[5-(4-bromo-2-fluorophenoxy)pentyl]cyclopropanamine
SMILESFc1cc(Br)ccc1OCCCCCNC1CC1
InChIInChI=1S/C14H19BrFNO/c15-11-4-7-14(13(16)10-11)18-9-3-1-2-8-17-12-5-6-12/h4,7,10,12,17H,1-3,5-6,8-9H2
InChIKeyGTVYXYROURMJNE-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.89
Rot. Bonds8

About N-[5-(4-bromo-2-fluorophenoxy)pentyl]cyclopropanamine

N-[5-(4-bromo-2-fluorophenoxy)pentyl]cyclopropanamine (PubChem CID 55077009) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is N-[5-(4-bromo-2-fluorophenoxy)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(4-bromo-2-fluorophenoxy)pentyl]cyclopropanamine
PubChem CID55077009
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC NameN-[5-(4-bromo-2-fluorophenoxy)pentyl]cyclopropanamine
SMILESFc1cc(Br)ccc1OCCCCCNC1CC1
InChIInChI=1S/C14H19BrFNO/c15-11-4-7-14(13(16)10-11)18-9-3-1-2-8-17-12-5-6-12/h4,7,10,12,17H,1-3,5-6,8-9H2
InChIKeyGTVYXYROURMJNE-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-bromo-2-chlorophenoxy)butyl]cyclopropanamine
CID 62485655
N-[6-(4-bromo-3-fluorophenoxy)hexyl]cyclopropanamine
CID 65201532
N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclopropanamine
CID 107100647
N-[5-[(4-bromophenyl)methoxy]pentyl]cyclopropanamine
CID 82831390
N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine
CID 62570847
N-[[3-[(4-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62486032
N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62484964
N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65306006
N-[[5-bromo-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646884
N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine
CID 62454096
N-[2-(4-bromo-2-fluorophenoxy)ethyl]-2-methoxyethanamine
CID 62598740
N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclohexanamine
CID 107101679

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-bromo-2-fluorophenoxy)pentyl]cyclopropanamine?
The IUPAC name of N-[5-(4-bromo-2-fluorophenoxy)pentyl]cyclopropanamine (CID 55077009) is N-[5-(4-bromo-2-fluorophenoxy)pentyl]cyclopropanamine.
What is the SMILES notation for N-[5-(4-bromo-2-fluorophenoxy)pentyl]cyclopropanamine?
The canonical SMILES for N-[5-(4-bromo-2-fluorophenoxy)pentyl]cyclopropanamine is Fc1cc(Br)ccc1OCCCCCNC1CC1.
What is the InChIKey of N-[5-(4-bromo-2-fluorophenoxy)pentyl]cyclopropanamine?
The InChIKey is GTVYXYROURMJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c15-11-4-7-14(13(16)10-11)18-9-3-1-2-8-17-12-5-6-12/h4,7,10,12,17H,1-3,5-6,8-9H2.
What are the key properties of N-[5-(4-bromo-2-fluorophenoxy)pentyl]cyclopropanamine?
N-[5-(4-bromo-2-fluorophenoxy)pentyl]cyclopropanamine has a molecular weight of 316.21 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-bromo-2-fluorophenoxy)pentyl]cyclopropanamine is sourced from PubChem (CID 55077009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).