1-(2-methoxy-5-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one

C18H27NO2 — CID 116575518

IUPAC1-(2-methoxy-5-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
SMILESCNC1(CC(=O)Cc2cc(C)ccc2OC)CCCCC1
InChIInChI=1S/C18H27NO2/c1-14-7-8-17(21-3)15(11-14)12-16(20)13-18(19-2)9-5-4-6-10-18/h7-8,11,19H,4-6,9-10,12-13H2,1-3H3
InChIKeyHRJFPXBRURRWIR-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.43
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one

1-(2-methoxy-5-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one (PubChem CID 116575518) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
PubChem CID116575518
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
SMILESCNC1(CC(=O)Cc2cc(C)ccc2OC)CCCCC1
InChIInChI=1S/C18H27NO2/c1-14-7-8-17(21-3)15(11-14)12-16(20)13-18(19-2)9-5-4-6-10-18/h7-8,11,19H,4-6,9-10,12-13H2,1-3H3
InChIKeyHRJFPXBRURRWIR-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 105376593
2-[1-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclobutyl]acetic acid
CID 79843985
1-(2,5-difluorophenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575381
1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116747950
1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80609485
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965749
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
1-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-ol
CID 62161336
1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55042036
2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone
CID 60667529
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one (CID 116575518) is 1-(2-methoxy-5-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one is CNC1(CC(=O)Cc2cc(C)ccc2OC)CCCCC1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one?
The InChIKey is HRJFPXBRURRWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14-7-8-17(21-3)15(11-14)12-16(20)13-18(19-2)9-5-4-6-10-18/h7-8,11,19H,4-6,9-10,12-13H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one?
1-(2-methoxy-5-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one has a molecular weight of 289.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one is sourced from PubChem (CID 116575518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).