2-(3-methoxyphenyl)-2-(propylamino)cyclohexan-1-one

C16H23NO2 — CID 155817932

IUPAC2-(3-methoxyphenyl)-2-(propylamino)cyclohexan-1-one
SMILESCCCNC1(c2cccc(OC)c2)CCCCC1=O
InChIInChI=1S/C16H23NO2/c1-3-11-17-16(10-5-4-9-15(16)18)13-7-6-8-14(12-13)19-2/h6-8,12,17H,3-5,9-11H2,1-2H3
InChIKeyAAVOSBAXDRASAH-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.03
Rot. Bonds5

About 2-(3-methoxyphenyl)-2-(propylamino)cyclohexan-1-one

2-(3-methoxyphenyl)-2-(propylamino)cyclohexan-1-one (PubChem CID 155817932) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-(propylamino)cyclohexan-1-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-(propylamino)cyclohexan-1-one
PubChem CID155817932
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(3-methoxyphenyl)-2-(propylamino)cyclohexan-1-one
SMILESCCCNC1(c2cccc(OC)c2)CCCCC1=O
InChIInChI=1S/C16H23NO2/c1-3-11-17-16(10-5-4-9-15(16)18)13-7-6-8-14(12-13)19-2/h6-8,12,17H,3-5,9-11H2,1-2H3
InChIKeyAAVOSBAXDRASAH-UHFFFAOYSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Methoxyphenyl)-2-(ethylamino)cyclohexanone
CID 52911279
N-(3-Methoxybenzyl)Palmitamide
CID 71765531
(9Z,12Z)-N-(3-Methoxybenzyl)Octadeca-9,12-Dienamide
CID 73346043
3-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2914414
N-(3-Methoxybenzyl)oleamide
CID 73346080
N-((3-Methoxyphenyl)methyl)octadeca-9,12,15-trienamide, (9Z,12Z,15Z)-
CID 73353637
3-(Benzylamino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 2883270
N-[(2-methoxyphenyl)methyl]-2-phenylbutanamide
CID 2891278
N-(2-methoxybenzyl)-3-phenylbutanamide
CID 2914849
N-(3-methoxybenzyl)-N'-(4-phenylbutan-2-yl)pentanediamide
CID 5145094
N-[2-(cyclohexen-1-yl)ethyl]-3-methoxybenzamide
CID 841008
Nps R-467
CID 10199287

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-(propylamino)cyclohexan-1-one?
The IUPAC name of 2-(3-methoxyphenyl)-2-(propylamino)cyclohexan-1-one (CID 155817932) is 2-(3-methoxyphenyl)-2-(propylamino)cyclohexan-1-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-(propylamino)cyclohexan-1-one?
The canonical SMILES for 2-(3-methoxyphenyl)-2-(propylamino)cyclohexan-1-one is CCCNC1(c2cccc(OC)c2)CCCCC1=O.
What is the InChIKey of 2-(3-methoxyphenyl)-2-(propylamino)cyclohexan-1-one?
The InChIKey is AAVOSBAXDRASAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-11-17-16(10-5-4-9-15(16)18)13-7-6-8-14(12-13)19-2/h6-8,12,17H,3-5,9-11H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-2-(propylamino)cyclohexan-1-one?
2-(3-methoxyphenyl)-2-(propylamino)cyclohexan-1-one has a molecular weight of 261.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-(propylamino)cyclohexan-1-one is sourced from PubChem (CID 155817932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).