[1-(dimethylamino)-4-methylcyclohexyl]-(2-methoxy-5-methylphenyl)methanone

C18H27NO2 — CID 79062414

IUPAC[1-(dimethylamino)-4-methylcyclohexyl]-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C18H27NO2/c1-13-8-10-18(11-9-13,19(3)4)17(20)15-12-14(2)6-7-16(15)21-5/h6-7,12-13H,8-11H2,1-5H3
InChIKeyXKQQDNFKYJTLJO-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.70
Rot. Bonds4

About [1-(dimethylamino)-4-methylcyclohexyl]-(2-methoxy-5-methylphenyl)methanone

[1-(dimethylamino)-4-methylcyclohexyl]-(2-methoxy-5-methylphenyl)methanone (PubChem CID 79062414) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is [1-(dimethylamino)-4-methylcyclohexyl]-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(dimethylamino)-4-methylcyclohexyl]-(2-methoxy-5-methylphenyl)methanone
PubChem CID79062414
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name[1-(dimethylamino)-4-methylcyclohexyl]-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C18H27NO2/c1-13-8-10-18(11-9-13,19(3)4)17(20)15-12-14(2)6-7-16(15)21-5/h6-7,12-13H,8-11H2,1-5H3
InChIKeyXKQQDNFKYJTLJO-UHFFFAOYSA-N
XLogP3.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone
CID 79066338
(1-hydroxycyclohexyl)-(2-methoxy-5-methylphenyl)methanone
CID 103449621
(2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone
CID 65401520
2-methoxy-N,5-dimethylbenzohydrazide
CID 116845575
ethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone
CID 142095957
(3,4-dichlorophenyl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone
CID 79066310
(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone
CID 79067768
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,5-dimethylbenzamide
CID 115272623
(2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone
CID 62795415
2-(2-methoxy-5-methylbenzoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391912
1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115646
2-cyclopropyl-2-[(2-methoxy-5-methylbenzoyl)amino]acetic acid
CID 62697272

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-4-methylcyclohexyl]-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of [1-(dimethylamino)-4-methylcyclohexyl]-(2-methoxy-5-methylphenyl)methanone (CID 79062414) is [1-(dimethylamino)-4-methylcyclohexyl]-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for [1-(dimethylamino)-4-methylcyclohexyl]-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for [1-(dimethylamino)-4-methylcyclohexyl]-(2-methoxy-5-methylphenyl)methanone is COc1ccc(C)cc1C(=O)C1(N(C)C)CCC(C)CC1.
What is the InChIKey of [1-(dimethylamino)-4-methylcyclohexyl]-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is XKQQDNFKYJTLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-8-10-18(11-9-13,19(3)4)17(20)15-12-14(2)6-7-16(15)21-5/h6-7,12-13H,8-11H2,1-5H3.
What are the key properties of [1-(dimethylamino)-4-methylcyclohexyl]-(2-methoxy-5-methylphenyl)methanone?
[1-(dimethylamino)-4-methylcyclohexyl]-(2-methoxy-5-methylphenyl)methanone has a molecular weight of 289.42 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-4-methylcyclohexyl]-(2-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 79062414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).