(5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone

C16H22ClNO2 — CID 79066338

IUPAC(5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)C1(N(C)C)CCCCC1
InChIInChI=1S/C16H22ClNO2/c1-18(2)16(9-5-4-6-10-16)15(19)13-11-12(17)7-8-14(13)20-3/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyZBVPFRKEWFFJRT-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.80
Rot. Bonds4

About (5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone

(5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone (PubChem CID 79066338) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone
PubChem CID79066338
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name(5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)C1(N(C)C)CCCCC1
InChIInChI=1S/C16H22ClNO2/c1-18(2)16(9-5-4-6-10-16)15(19)13-11-12(17)7-8-14(13)20-3/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyZBVPFRKEWFFJRT-UHFFFAOYSA-N
XLogP3.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone
CID 116550581
2-(5-chloro-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone
CID 79067216
(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone
CID 79067768
(5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
CID 116921922
[1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
CID 116601328
[1-(dimethylamino)cyclopentyl]-(3-fluoro-4-methoxyphenyl)methanone
CID 79067601
[1-(dimethylamino)-4-methylcyclohexyl]-(2-methoxy-5-methylphenyl)methanone
CID 79062414
(5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921342
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
[1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
CID 116611778
5-chloro-2-methoxybenzoate
CID 6933314
2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 116591329

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone (CID 79066338) is (5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone is COc1ccc(Cl)cc1C(=O)C1(N(C)C)CCCCC1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone?
The InChIKey is ZBVPFRKEWFFJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-18(2)16(9-5-4-6-10-16)15(19)13-11-12(17)7-8-14(13)20-3/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone?
(5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone has a molecular weight of 295.81 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone is sourced from PubChem (CID 79066338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).