N-[3-(4-fluorophenoxy)propyl]cyclohexanamine

C15H22FNO — CID 60683502

IUPACN-[3-(4-fluorophenoxy)propyl]cyclohexanamine
SMILESFc1ccc(OCCCNC2CCCCC2)cc1
InChIInChI=1S/C15H22FNO/c16-13-7-9-15(10-8-13)18-12-4-11-17-14-5-2-1-3-6-14/h7-10,14,17H,1-6,11-12H2
InChIKeyHJOUABBUXOHYTE-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.52
Rot. Bonds6

About N-[3-(4-fluorophenoxy)propyl]cyclohexanamine

N-[3-(4-fluorophenoxy)propyl]cyclohexanamine (PubChem CID 60683502) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]cyclohexanamine
PubChem CID60683502
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[3-(4-fluorophenoxy)propyl]cyclohexanamine
SMILESFc1ccc(OCCCNC2CCCCC2)cc1
InChIInChI=1S/C15H22FNO/c16-13-7-9-15(10-8-13)18-12-4-11-17-14-5-2-1-3-6-14/h7-10,14,17H,1-6,11-12H2
InChIKeyHJOUABBUXOHYTE-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.52
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-fluorophenoxy)ethyl]cyclohexanamine
CID 46835310
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
N-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine
CID 63648269
N-[3-(3-fluorophenoxy)propyl]cyclopentanamine
CID 62571696
N-[4-(4-fluorophenoxy)butyl]-1-methylpiperidin-4-amine
CID 67622919
N-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine
CID 63273078
N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine
CID 82727453
N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine
CID 83234514
N-[4-(4-methylphenoxy)butyl]cyclopentanamine
CID 2948932
N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine
CID 107170950
N-[3-(2,6-difluorophenoxy)propyl]cyclohexanamine
CID 81269341
N-[2-(4-butylphenoxy)ethyl]cycloheptanamine
CID 115493422

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)propyl]cyclohexanamine?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]cyclohexanamine (CID 60683502) is N-[3-(4-fluorophenoxy)propyl]cyclohexanamine.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]cyclohexanamine?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]cyclohexanamine is Fc1ccc(OCCCNC2CCCCC2)cc1.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]cyclohexanamine?
The InChIKey is HJOUABBUXOHYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c16-13-7-9-15(10-8-13)18-12-4-11-17-14-5-2-1-3-6-14/h7-10,14,17H,1-6,11-12H2.
What are the key properties of N-[3-(4-fluorophenoxy)propyl]cyclohexanamine?
N-[3-(4-fluorophenoxy)propyl]cyclohexanamine has a molecular weight of 251.34 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)propyl]cyclohexanamine is sourced from PubChem (CID 60683502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).