[1-(dimethylamino)-4-methylcyclohexyl]-(4-ethylphenyl)methanone

C18H27NO — CID 79066837

IUPAC[1-(dimethylamino)-4-methylcyclohexyl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)C2(N(C)C)CCC(C)CC2)cc1
InChIInChI=1S/C18H27NO/c1-5-15-6-8-16(9-7-15)17(20)18(19(3)4)12-10-14(2)11-13-18/h6-9,14H,5,10-13H2,1-4H3
InChIKeyVSHDZNXZAYJSQB-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.94
Rot. Bonds4

About [1-(dimethylamino)-4-methylcyclohexyl]-(4-ethylphenyl)methanone

[1-(dimethylamino)-4-methylcyclohexyl]-(4-ethylphenyl)methanone (PubChem CID 79066837) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is [1-(dimethylamino)-4-methylcyclohexyl]-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name[1-(dimethylamino)-4-methylcyclohexyl]-(4-ethylphenyl)methanone
PubChem CID79066837
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name[1-(dimethylamino)-4-methylcyclohexyl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)C2(N(C)C)CCC(C)CC2)cc1
InChIInChI=1S/C18H27NO/c1-5-15-6-8-16(9-7-15)17(20)18(19(3)4)12-10-14(2)11-13-18/h6-9,14H,5,10-13H2,1-4H3
InChIKeyVSHDZNXZAYJSQB-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749233
(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanone
CID 116749465
(3,4-dichlorophenyl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone
CID 79066310
(4-ethylphenyl)-(4-methylcyclohexyl)methanone
CID 63409487
N-(1-carbamothioyl-4-methylcyclohexyl)-4-ethylbenzamide
CID 61121732
1-(1,4-dimethylcyclohexyl)-4-ethylbenzene
CID 71423616
(3-bromofuran-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone
CID 79067062
2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanone
CID 79062774
(4-ethylphenyl)-(1-phenylcyclopropyl)methanone
CID 62879139
[1-(aminomethyl)-4-methylcyclohexyl]-(3-ethylphenyl)methanone
CID 116604116
1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one
CID 43228135
N-[(4-ethylphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630877

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-4-methylcyclohexyl]-(4-ethylphenyl)methanone?
The IUPAC name of [1-(dimethylamino)-4-methylcyclohexyl]-(4-ethylphenyl)methanone (CID 79066837) is [1-(dimethylamino)-4-methylcyclohexyl]-(4-ethylphenyl)methanone.
What is the SMILES notation for [1-(dimethylamino)-4-methylcyclohexyl]-(4-ethylphenyl)methanone?
The canonical SMILES for [1-(dimethylamino)-4-methylcyclohexyl]-(4-ethylphenyl)methanone is CCc1ccc(C(=O)C2(N(C)C)CCC(C)CC2)cc1.
What is the InChIKey of [1-(dimethylamino)-4-methylcyclohexyl]-(4-ethylphenyl)methanone?
The InChIKey is VSHDZNXZAYJSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-5-15-6-8-16(9-7-15)17(20)18(19(3)4)12-10-14(2)11-13-18/h6-9,14H,5,10-13H2,1-4H3.
What are the key properties of [1-(dimethylamino)-4-methylcyclohexyl]-(4-ethylphenyl)methanone?
[1-(dimethylamino)-4-methylcyclohexyl]-(4-ethylphenyl)methanone has a molecular weight of 273.42 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-4-methylcyclohexyl]-(4-ethylphenyl)methanone is sourced from PubChem (CID 79066837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).