[1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone

C16H23NO — CID 79066640

IUPAC[1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)C2(N(C)C)CCCCC2)c1
InChIInChI=1S/C16H23NO/c1-13-8-7-9-14(12-13)15(18)16(17(2)3)10-5-4-6-11-16/h7-9,12H,4-6,10-11H2,1-3H3
InChIKeyDWRIJFZRJJKTRY-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.44
Rot. Bonds3

About [1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone

[1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone (PubChem CID 79066640) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is [1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone
PubChem CID79066640
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name[1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)C2(N(C)C)CCCCC2)c1
InChIInChI=1S/C16H23NO/c1-13-8-7-9-14(12-13)15(18)16(17(2)3)10-5-4-6-11-16/h7-9,12H,4-6,10-11H2,1-3H3
InChIKeyDWRIJFZRJJKTRY-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-hydroxycyclohexyl)-(3-methylphenyl)methanone
CID 103449690
[1-(dimethylamino)cycloheptyl]-(5-methylthiophen-3-yl)methanone
CID 79074712
[1-(dimethylamino)cyclopentyl]-(5-methylthiophen-3-yl)methanone
CID 79067454
(1-aminocyclobutyl)-(3-methylphenyl)methanone
CID 116598453
(3-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79058233
(4-chlorophenyl)-[1-(dimethylamino)cyclohexyl]methanone
CID 79066108
1-(3-methylbenzoyl)cyclopentane-1-carbonitrile
CID 102358495
[1-(dimethylamino)cyclohexyl]-(6-methyl-3-pyridinyl)methanone
CID 79066112
2-[1-[methyl-(3-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 65238537
(3-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114962620
methyl 1-(3-methylbenzoyl)cyclobutane-1-carboxylate
CID 116922080
N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
CID 62520382

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone?
The IUPAC name of [1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone (CID 79066640) is [1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone.
What is the SMILES notation for [1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone?
The canonical SMILES for [1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)C2(N(C)C)CCCCC2)c1.
What is the InChIKey of [1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone?
The InChIKey is DWRIJFZRJJKTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13-8-7-9-14(12-13)15(18)16(17(2)3)10-5-4-6-11-16/h7-9,12H,4-6,10-11H2,1-3H3.
What are the key properties of [1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone?
[1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone has a molecular weight of 245.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone is sourced from PubChem (CID 79066640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).