(4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone

C16H23NO2 — CID 116917590

IUPAC(4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone
SMILESCNC1CCC(C(=O)c2ccc(OC)c(C)c2)CC1
InChIInChI=1S/C16H23NO2/c1-11-10-13(6-9-15(11)19-3)16(18)12-4-7-14(17-2)8-5-12/h6,9-10,12,14,17H,4-5,7-8H2,1-3H3
InChIKeyUNNGZJGDYGHJOG-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.96
Rot. Bonds4

About (4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone

(4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone (PubChem CID 116917590) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone.

Molecular Properties

Compound Name(4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone
PubChem CID116917590
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone
SMILESCNC1CCC(C(=O)c2ccc(OC)c(C)c2)CC1
InChIInChI=1S/C16H23NO2/c1-11-10-13(6-9-15(11)19-3)16(18)12-4-7-14(17-2)8-5-12/h6,9-10,12,14,17H,4-5,7-8H2,1-3H3
InChIKeyUNNGZJGDYGHJOG-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one
CID 116920244
(3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone
CID 116917663
2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone
CID 106892565
(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-(4-methoxy-3-methylphenyl)methanone
CID 171947236
ethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate
CID 71226501
(3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917605
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
(4-chloro-3-methoxyphenyl)-cyclopropylmethanone
CID 79700352
(4-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone
CID 114975950
(4-bromophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917587
3-(cyclopropylamino)-4-(4-methoxy-3-methylphenyl)-4-oxobutanoic acid
CID 82322506
tert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate
CID 122359770

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone?
The IUPAC name of (4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone (CID 116917590) is (4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone.
What is the SMILES notation for (4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone?
The canonical SMILES for (4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone is CNC1CCC(C(=O)c2ccc(OC)c(C)c2)CC1.
What is the InChIKey of (4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone?
The InChIKey is UNNGZJGDYGHJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-10-13(6-9-15(11)19-3)16(18)12-4-7-14(17-2)8-5-12/h6,9-10,12,14,17H,4-5,7-8H2,1-3H3.
What are the key properties of (4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone?
(4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone has a molecular weight of 261.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone is sourced from PubChem (CID 116917590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).