(6R)-4-[1-(4-fluorophenyl)ethenoxy]-N,6-dimethylcyclohex-3-en-1-amine

C16H20FNO — CID 129091004

IUPAC(6R)-4-[1-(4-fluorophenyl)ethenoxy]-N,6-dimethylcyclohex-3-en-1-amine
SMILESC=C(OC1=CCC(NC)[C@H](C)C1)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO/c1-11-10-15(8-9-16(11)18-3)19-12(2)13-4-6-14(17)7-5-13/h4-8,11,16,18H,2,9-10H2,1,3H3/t11-,16?/m1/s1
InChIKeyJKJRQIWTRMRASY-ZVDHGWRTSA-N
MW261.34 g/mol
LogP3.71
Rot. Bonds4

About (6R)-4-[1-(4-fluorophenyl)ethenoxy]-N,6-dimethylcyclohex-3-en-1-amine

(6R)-4-[1-(4-fluorophenyl)ethenoxy]-N,6-dimethylcyclohex-3-en-1-amine (PubChem CID 129091004) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is (6R)-4-[1-(4-fluorophenyl)ethenoxy]-N,6-dimethylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name(6R)-4-[1-(4-fluorophenyl)ethenoxy]-N,6-dimethylcyclohex-3-en-1-amine
PubChem CID129091004
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name(6R)-4-[1-(4-fluorophenyl)ethenoxy]-N,6-dimethylcyclohex-3-en-1-amine
SMILESC=C(OC1=CCC(NC)[C@H](C)C1)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO/c1-11-10-15(8-9-16(11)18-3)19-12(2)13-4-6-14(17)7-5-13/h4-8,11,16,18H,2,9-10H2,1,3H3/t11-,16?/m1/s1
InChIKeyJKJRQIWTRMRASY-ZVDHGWRTSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-[1-(4-fluorophenyl)ethenoxy]-N,6-dimethylcyclohex-3-en-1-amine?
The IUPAC name of (6R)-4-[1-(4-fluorophenyl)ethenoxy]-N,6-dimethylcyclohex-3-en-1-amine (CID 129091004) is (6R)-4-[1-(4-fluorophenyl)ethenoxy]-N,6-dimethylcyclohex-3-en-1-amine.
What is the SMILES notation for (6R)-4-[1-(4-fluorophenyl)ethenoxy]-N,6-dimethylcyclohex-3-en-1-amine?
The canonical SMILES for (6R)-4-[1-(4-fluorophenyl)ethenoxy]-N,6-dimethylcyclohex-3-en-1-amine is C=C(OC1=CCC(NC)[C@H](C)C1)c1ccc(F)cc1.
What is the InChIKey of (6R)-4-[1-(4-fluorophenyl)ethenoxy]-N,6-dimethylcyclohex-3-en-1-amine?
The InChIKey is JKJRQIWTRMRASY-ZVDHGWRTSA-N. The full InChI is InChI=1S/C16H20FNO/c1-11-10-15(8-9-16(11)18-3)19-12(2)13-4-6-14(17)7-5-13/h4-8,11,16,18H,2,9-10H2,1,3H3/t11-,16?/m1/s1.
What are the key properties of (6R)-4-[1-(4-fluorophenyl)ethenoxy]-N,6-dimethylcyclohex-3-en-1-amine?
(6R)-4-[1-(4-fluorophenyl)ethenoxy]-N,6-dimethylcyclohex-3-en-1-amine has a molecular weight of 261.34 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[1-(4-fluorophenyl)ethenoxy]-N,6-dimethylcyclohex-3-en-1-amine is sourced from PubChem (CID 129091004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).