2-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethanamine

C14H18FNO — CID 114620711

IUPAC2-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethanamine
SMILESNCCc1cccc(F)c1OC1C=CCCC1
InChIInChI=1S/C14H18FNO/c15-13-8-4-5-11(9-10-16)14(13)17-12-6-2-1-3-7-12/h2,4-6,8,12H,1,3,7,9-10,16H2
InChIKeyZPSBARYLXLOEJL-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.81
Rot. Bonds4

About 2-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethanamine

2-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethanamine (PubChem CID 114620711) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethanamine
PubChem CID114620711
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name2-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethanamine
SMILESNCCc1cccc(F)c1OC1C=CCCC1
InChIInChI=1S/C14H18FNO/c15-13-8-4-5-11(9-10-16)14(13)17-12-6-2-1-3-7-12/h2,4-6,8,12H,1,3,7,9-10,16H2
InChIKeyZPSBARYLXLOEJL-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)methanamine
CID 114619906
1-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)butan-2-amine
CID 114620716
(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)methanamine
CID 114619870
2-(5-bromo-2-cyclohex-2-en-1-yloxy-3-methylphenyl)ethanamine
CID 114620717
(2-cyclopentyloxy-3-fluorophenyl)methanol
CID 112613227
2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine
CID 112615272
1-(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)propan-2-amine
CID 114620704
4-cyclohex-2-en-1-yloxyaniline
CID 112693108
2-(3-bromo-2-cyclohexyloxyphenyl)ethanamine
CID 61391935
2-[4-cyclohex-2-en-1-yloxy-3-(trifluoromethyl)phenyl]ethanamine
CID 114620693
2-[2-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanamine
CID 106930366
1-chloro-4-cyclohex-2-en-1-yloxybenzene
CID 15190705

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethanamine?
The IUPAC name of 2-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethanamine (CID 114620711) is 2-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethanamine is NCCc1cccc(F)c1OC1C=CCCC1.
What is the InChIKey of 2-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethanamine?
The InChIKey is ZPSBARYLXLOEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c15-13-8-4-5-11(9-10-16)14(13)17-12-6-2-1-3-7-12/h2,4-6,8,12H,1,3,7,9-10,16H2.
What are the key properties of 2-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethanamine?
2-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethanamine has a molecular weight of 235.30 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethanamine is sourced from PubChem (CID 114620711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).