N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine

C14H20FNO — CID 46835310

IUPACN-[2-(4-fluorophenoxy)ethyl]cyclohexanamine
SMILESFc1ccc(OCCNC2CCCCC2)cc1
InChIInChI=1S/C14H20FNO/c15-12-6-8-14(9-7-12)17-11-10-16-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10-11H2
InChIKeyCPEJXSGEUGMWFH-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.13
Rot. Bonds5

About N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine

N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine (PubChem CID 46835310) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]cyclohexanamine
PubChem CID46835310
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]cyclohexanamine
SMILESFc1ccc(OCCNC2CCCCC2)cc1
InChIInChI=1S/C14H20FNO/c15-12-6-8-14(9-7-12)17-11-10-16-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10-11H2
InChIKeyCPEJXSGEUGMWFH-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.13
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-fluorophenoxy)propyl]cyclohexanamine
CID 60683502
N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine
CID 107170950
4-[2-(cyclopentylamino)ethoxy]benzonitrile
CID 2199873
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
N-[2-(3,4-dimethylphenoxy)ethyl]cycloheptanamine
CID 63504448
N-[2-(3-bromo-5-fluorophenoxy)ethyl]cycloheptanamine
CID 81326014
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine
CID 55093016
N-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine
CID 63648269
N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine
CID 62570847
N-[2-(4-butylphenoxy)ethyl]cycloheptanamine
CID 115493422
N-[3-(3-fluorophenoxy)propyl]cyclopentanamine
CID 62571696
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine
CID 63516362

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine (CID 46835310) is N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine is Fc1ccc(OCCNC2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine?
The InChIKey is CPEJXSGEUGMWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c15-12-6-8-14(9-7-12)17-11-10-16-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10-11H2.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine?
N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine has a molecular weight of 237.32 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine is sourced from PubChem (CID 46835310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).