N-[6-(4-bromo-3-fluorophenoxy)hexyl]cyclopropanamine

C15H21BrFNO — CID 65201532

IUPACN-[6-(4-bromo-3-fluorophenoxy)hexyl]cyclopropanamine
SMILESFc1cc(OCCCCCCNC2CC2)ccc1Br
InChIInChI=1S/C15H21BrFNO/c16-14-8-7-13(11-15(14)17)19-10-4-2-1-3-9-18-12-5-6-12/h7-8,11-12,18H,1-6,9-10H2
InChIKeyRLYMQYPHEOYGFT-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.28
Rot. Bonds9

About N-[6-(4-bromo-3-fluorophenoxy)hexyl]cyclopropanamine

N-[6-(4-bromo-3-fluorophenoxy)hexyl]cyclopropanamine (PubChem CID 65201532) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is N-[6-(4-bromo-3-fluorophenoxy)hexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[6-(4-bromo-3-fluorophenoxy)hexyl]cyclopropanamine
PubChem CID65201532
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC NameN-[6-(4-bromo-3-fluorophenoxy)hexyl]cyclopropanamine
SMILESFc1cc(OCCCCCCNC2CC2)ccc1Br
InChIInChI=1S/C15H21BrFNO/c16-14-8-7-13(11-15(14)17)19-10-4-2-1-3-9-18-12-5-6-12/h7-8,11-12,18H,1-6,9-10H2
InChIKeyRLYMQYPHEOYGFT-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.28
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-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine
CID 65201328
N-[2-(4-bromo-3-fluorophenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 65200968
N-[6-(4-bromo-3-methylphenoxy)hexyl]cyclopropanamine
CID 83134751
6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine
CID 65201441
N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine
CID 83234514
N-[5-(4-bromo-2-fluorophenoxy)pentyl]cyclopropanamine
CID 55077009
N-[4-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454256
1-bromo-2-fluoro-4-tetradecoxybenzene
CID 23354727
N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine
CID 82727453
4-(4-bromo-3-fluorophenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 65201584
N-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79626291
1,9-bis(4-bromo-3-fluorophenoxy)nonan-5-one
CID 122542604

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-bromo-3-fluorophenoxy)hexyl]cyclopropanamine?
The IUPAC name of N-[6-(4-bromo-3-fluorophenoxy)hexyl]cyclopropanamine (CID 65201532) is N-[6-(4-bromo-3-fluorophenoxy)hexyl]cyclopropanamine.
What is the SMILES notation for N-[6-(4-bromo-3-fluorophenoxy)hexyl]cyclopropanamine?
The canonical SMILES for N-[6-(4-bromo-3-fluorophenoxy)hexyl]cyclopropanamine is Fc1cc(OCCCCCCNC2CC2)ccc1Br.
What is the InChIKey of N-[6-(4-bromo-3-fluorophenoxy)hexyl]cyclopropanamine?
The InChIKey is RLYMQYPHEOYGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c16-14-8-7-13(11-15(14)17)19-10-4-2-1-3-9-18-12-5-6-12/h7-8,11-12,18H,1-6,9-10H2.
What are the key properties of N-[6-(4-bromo-3-fluorophenoxy)hexyl]cyclopropanamine?
N-[6-(4-bromo-3-fluorophenoxy)hexyl]cyclopropanamine has a molecular weight of 330.24 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-bromo-3-fluorophenoxy)hexyl]cyclopropanamine is sourced from PubChem (CID 65201532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).