1-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)butan-2-amine

C16H22FNO — CID 114620716

IUPAC1-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)butan-2-amine
SMILESCCC(N)Cc1cccc(F)c1OC1C=CCCC1
InChIInChI=1S/C16H22FNO/c1-2-13(18)11-12-7-6-10-15(17)16(12)19-14-8-4-3-5-9-14/h4,6-8,10,13-14H,2-3,5,9,11,18H2,1H3
InChIKeyDEWMVGLGHXQJAN-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.59
Rot. Bonds5

About 1-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)butan-2-amine

1-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)butan-2-amine (PubChem CID 114620716) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)butan-2-amine
PubChem CID114620716
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name1-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)butan-2-amine
SMILESCCC(N)Cc1cccc(F)c1OC1C=CCCC1
InChIInChI=1S/C16H22FNO/c1-2-13(18)11-12-7-6-10-15(17)16(12)19-14-8-4-3-5-9-14/h4,6-8,10,13-14H,2-3,5,9,11,18H2,1H3
InChIKeyDEWMVGLGHXQJAN-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.59
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
2-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethanamine
CID 114620711
1-(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)butan-2-amine
CID 114620705
1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine
CID 115958827
1-[2-(3,4-dimethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine
CID 115958807
1-(5-bromo-2-cyclohex-2-en-1-yloxyphenyl)butan-2-amine
CID 114620662
1-(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)propan-2-amine
CID 114620704
1-[2-(1,1-dioxothiolan-3-yl)oxy-3-fluorophenyl]butan-2-amine
CID 115958816
1-[3-fluoro-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine
CID 115958778
1-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine
CID 115958795
1-[3-fluoro-2-[(2-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 115958788
1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
CID 115958688

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)butan-2-amine?
The IUPAC name of 1-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)butan-2-amine (CID 114620716) is 1-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)butan-2-amine.
What is the SMILES notation for 1-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)butan-2-amine?
The canonical SMILES for 1-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)butan-2-amine is CCC(N)Cc1cccc(F)c1OC1C=CCCC1.
What is the InChIKey of 1-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)butan-2-amine?
The InChIKey is DEWMVGLGHXQJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-2-13(18)11-12-7-6-10-15(17)16(12)19-14-8-4-3-5-9-14/h4,6-8,10,13-14H,2-3,5,9,11,18H2,1H3.
What are the key properties of 1-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)butan-2-amine?
1-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)butan-2-amine has a molecular weight of 263.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)butan-2-amine is sourced from PubChem (CID 114620716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).