(1R)-1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)ethanamine

C15H21NO2 — CID 104940189

IUPAC(1R)-1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)N)c(OC2C=CCCC2)c1
InChIInChI=1S/C15H21NO2/c1-11(16)14-9-8-13(17-2)10-15(14)18-12-6-4-3-5-7-12/h4,6,8-12H,3,5,7,16H2,1-2H3/t11-,12?/m1/s1
InChIKeyJKAZEKAUGDLRIE-JHJMLUEUSA-N
MW247.34 g/mol
LogP3.20
Rot. Bonds4

About (1R)-1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)ethanamine

(1R)-1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)ethanamine (PubChem CID 104940189) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (1R)-1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)ethanamine
PubChem CID104940189
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(1R)-1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)N)c(OC2C=CCCC2)c1
InChIInChI=1S/C15H21NO2/c1-11(16)14-9-8-13(17-2)10-15(14)18-12-6-4-3-5-7-12/h4,6,8-12H,3,5,7,16H2,1-2H3/t11-,12?/m1/s1
InChIKeyJKAZEKAUGDLRIE-JHJMLUEUSA-N
XLogP3.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine
CID 114620682
1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine
CID 114619765
N-[(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)methyl]propan-1-amine
CID 114619741
1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol
CID 114620138
(1E)-3-(2-propan-2-ylphenoxy)cyclooctene
CID 114228087
1-(3-cyclohex-2-en-1-yloxy-4-methoxyphenyl)butan-2-amine
CID 114620675
4-(4-cyclohex-2-en-1-yloxyphenyl)butan-2-amine
CID 114619610
1-[4-methoxy-2-(4-methylcyclohexyl)oxyphenyl]ethanol
CID 82001479
4-cyclohex-2-en-1-yloxy-3-propan-2-ylbenzenesulfonamide
CID 114620295
4-cyclohex-2-en-1-yloxyaniline
CID 112693108
methyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate
CID 82000173
2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide
CID 82000170

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)ethanamine (CID 104940189) is (1R)-1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)ethanamine is COc1ccc([C@@H](C)N)c(OC2C=CCCC2)c1.
What is the InChIKey of (1R)-1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)ethanamine?
The InChIKey is JKAZEKAUGDLRIE-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(16)14-9-8-13(17-2)10-15(14)18-12-6-4-3-5-7-12/h4,6,8-12H,3,5,7,16H2,1-2H3/t11-,12?/m1/s1.
What are the key properties of (1R)-1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)ethanamine?
(1R)-1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)ethanamine has a molecular weight of 247.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 104940189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).