(6R)-6-(ethylamino)-6-(3-methoxyphenyl)cyclohex-2-en-1-one

C15H19NO2 — CID 142560385

IUPAC(6R)-6-(ethylamino)-6-(3-methoxyphenyl)cyclohex-2-en-1-one
SMILESCCN[C@@]1(c2cccc(OC)c2)CCC=CC1=O
InChIInChI=1S/C15H19NO2/c1-3-16-15(10-5-4-9-14(15)17)12-7-6-8-13(11-12)18-2/h4,6-9,11,16H,3,5,10H2,1-2H3/t15-/m1/s1
InChIKeyIGKCAXDGQXPURF-OAHLLOKOSA-N
MW245.32 g/mol
LogP2.42
Rot. Bonds4

About (6R)-6-(ethylamino)-6-(3-methoxyphenyl)cyclohex-2-en-1-one

(6R)-6-(ethylamino)-6-(3-methoxyphenyl)cyclohex-2-en-1-one (PubChem CID 142560385) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (6R)-6-(ethylamino)-6-(3-methoxyphenyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(6R)-6-(ethylamino)-6-(3-methoxyphenyl)cyclohex-2-en-1-one
PubChem CID142560385
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(6R)-6-(ethylamino)-6-(3-methoxyphenyl)cyclohex-2-en-1-one
SMILESCCN[C@@]1(c2cccc(OC)c2)CCC=CC1=O
InChIInChI=1S/C15H19NO2/c1-3-16-15(10-5-4-9-14(15)17)12-7-6-8-13(11-12)18-2/h4,6-9,11,16H,3,5,10H2,1-2H3/t15-/m1/s1
InChIKeyIGKCAXDGQXPURF-OAHLLOKOSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-6-(3-methoxyphenyl)-6-(methylamino)cyclohex-2-en-1-one
CID 138575946
N-ethyl-1-(3-methoxyphenyl)cyclohexan-1-amine
CID 57461569
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
(3R)-3-(3-methoxyphenyl)-3-(methylamino)oxan-2-one
CID 153363684
1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
CID 83684685
6-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine
CID 177304783
(3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 11264195
methyl 5-(ethoxymethyl)-5-(3-methoxyphenyl)-4-oxofuran-2-carboxylate
CID 54058803
2-(3-methoxyphenyl)-2-methylcyclopentan-1-one
CID 14565708
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
6-bromo-2-(3-methoxyphenyl)-2-propylcyclohexan-1-one
CID 67096197
2-(3-methoxyphenyl)-2-propylazetidine
CID 115058563

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(ethylamino)-6-(3-methoxyphenyl)cyclohex-2-en-1-one?
The IUPAC name of (6R)-6-(ethylamino)-6-(3-methoxyphenyl)cyclohex-2-en-1-one (CID 142560385) is (6R)-6-(ethylamino)-6-(3-methoxyphenyl)cyclohex-2-en-1-one.
What is the SMILES notation for (6R)-6-(ethylamino)-6-(3-methoxyphenyl)cyclohex-2-en-1-one?
The canonical SMILES for (6R)-6-(ethylamino)-6-(3-methoxyphenyl)cyclohex-2-en-1-one is CCN[C@@]1(c2cccc(OC)c2)CCC=CC1=O.
What is the InChIKey of (6R)-6-(ethylamino)-6-(3-methoxyphenyl)cyclohex-2-en-1-one?
The InChIKey is IGKCAXDGQXPURF-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-16-15(10-5-4-9-14(15)17)12-7-6-8-13(11-12)18-2/h4,6-9,11,16H,3,5,10H2,1-2H3/t15-/m1/s1.
What are the key properties of (6R)-6-(ethylamino)-6-(3-methoxyphenyl)cyclohex-2-en-1-one?
(6R)-6-(ethylamino)-6-(3-methoxyphenyl)cyclohex-2-en-1-one has a molecular weight of 245.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(ethylamino)-6-(3-methoxyphenyl)cyclohex-2-en-1-one is sourced from PubChem (CID 142560385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).