N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine

C14H19BrFNO — CID 83234514

IUPACN-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine
SMILESFc1ccc(OCCCNC2CCCC2)cc1Br
InChIInChI=1S/C14H19BrFNO/c15-13-10-12(6-7-14(13)16)18-9-3-8-17-11-4-1-2-5-11/h6-7,10-11,17H,1-5,8-9H2
InChIKeyHESAHVYZPXDMGF-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.89
Rot. Bonds6

About N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine

N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine (PubChem CID 83234514) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine
PubChem CID83234514
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC NameN-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine
SMILESFc1ccc(OCCCNC2CCCC2)cc1Br
InChIInChI=1S/C14H19BrFNO/c15-13-10-12(6-7-14(13)16)18-9-3-8-17-11-4-1-2-5-11/h6-7,10-11,17H,1-5,8-9H2
InChIKeyHESAHVYZPXDMGF-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine
CID 82727453
N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine
CID 65201328
N-[6-(4-bromo-3-fluorophenoxy)hexyl]cyclopropanamine
CID 65201532
N-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine
CID 63505429
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine
CID 55093016
N-[2-(3-bromo-4-fluorophenoxy)ethyl]-1,1-dioxothiolan-3-amine
CID 83234428
N-[3-(4-fluorophenoxy)propyl]cyclohexanamine
CID 60683502
N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine
CID 107170950
N-[3-(3-fluorophenoxy)propyl]cyclopentanamine
CID 62571696
N-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]cyclopentanamine
CID 102715022
4-(3-bromo-4-fluorophenoxy)-N-methylbutan-1-amine
CID 83234496
N-[2-(4-bromo-3-fluorophenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 65200968

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine?
The IUPAC name of N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine (CID 83234514) is N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine.
What is the SMILES notation for N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine?
The canonical SMILES for N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine is Fc1ccc(OCCCNC2CCCC2)cc1Br.
What is the InChIKey of N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine?
The InChIKey is HESAHVYZPXDMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c15-13-10-12(6-7-14(13)16)18-9-3-8-17-11-4-1-2-5-11/h6-7,10-11,17H,1-5,8-9H2.
What are the key properties of N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine?
N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine has a molecular weight of 316.21 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine is sourced from PubChem (CID 83234514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).