(4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanone

C17H24ClNO2 — CID 79700332

IUPAC(4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanone
SMILESCOc1cc(C(=O)C2(N(C)C)CCCC(C)C2)ccc1Cl
InChIInChI=1S/C17H24ClNO2/c1-12-6-5-9-17(11-12,19(2)3)16(20)13-7-8-14(18)15(10-13)21-4/h7-8,10,12H,5-6,9,11H2,1-4H3
InChIKeyRFRXFBCMPVZHCP-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.04
Rot. Bonds4

About (4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanone

(4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanone (PubChem CID 79700332) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanone.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanone
PubChem CID79700332
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name(4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanone
SMILESCOc1cc(C(=O)C2(N(C)C)CCCC(C)C2)ccc1Cl
InChIInChI=1S/C17H24ClNO2/c1-12-6-5-9-17(11-12,19(2)3)16(20)13-7-8-14(18)15(10-13)21-4/h7-8,10,12H,5-6,9,11H2,1-4H3
InChIKeyRFRXFBCMPVZHCP-UHFFFAOYSA-N
XLogP4.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanone with MolForge

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Related Compounds

[1-(dimethylamino)-3-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone
CID 79704310
[1-(aminomethyl)-4-methylcyclohexyl]-(4-chloro-3-methoxyphenyl)methanone
CID 116604180
(4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol
CID 79697137
(3,4-dichlorophenyl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone
CID 79066310
(4-chloro-3-methoxyphenyl)-cyclopropylmethanone
CID 79700352
2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79062570
[1-(dimethylamino)cyclopentyl]-(3-fluoro-4-methoxyphenyl)methanone
CID 79067601
cyclohexen-1-yl-[1-(dimethylamino)-3-methylcyclohexyl]methanone
CID 106652019
[1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanone
CID 79074446
(4-chloro-3-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 115781751
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
1-(4-chloro-3-methoxyphenyl)-2-pyrrolidin-2-ylethanone
CID 116560958

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanone?
The IUPAC name of (4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanone (CID 79700332) is (4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanone.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanone?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanone is COc1cc(C(=O)C2(N(C)C)CCCC(C)C2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanone?
The InChIKey is RFRXFBCMPVZHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-12-6-5-9-17(11-12,19(2)3)16(20)13-7-8-14(18)15(10-13)21-4/h7-8,10,12H,5-6,9,11H2,1-4H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanone?
(4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanone has a molecular weight of 309.84 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanone is sourced from PubChem (CID 79700332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).