4-(2-methoxyanilino)cyclohexan-1-one

C13H17NO2 — CID 117027862

IUPAC4-(2-methoxyanilino)cyclohexan-1-one
SMILESCOc1ccccc1NC1CCC(=O)CC1
InChIInChI=1S/C13H17NO2/c1-16-13-5-3-2-4-12(13)14-10-6-8-11(15)9-7-10/h2-5,10,14H,6-9H2,1H3
InChIKeyDMNVQRGHHJEGRL-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.62
Rot. Bonds3

About 4-(2-methoxyanilino)cyclohexan-1-one

4-(2-methoxyanilino)cyclohexan-1-one (PubChem CID 117027862) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-(2-methoxyanilino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(2-methoxyanilino)cyclohexan-1-one
PubChem CID117027862
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-(2-methoxyanilino)cyclohexan-1-one
SMILESCOc1ccccc1NC1CCC(=O)CC1
InChIInChI=1S/C13H17NO2/c1-16-13-5-3-2-4-12(13)14-10-6-8-11(15)9-7-10/h2-5,10,14H,6-9H2,1H3
InChIKeyDMNVQRGHHJEGRL-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 90237422
N-(2-methoxyphenyl)-1-methylsulfonylpiperidin-4-amine
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2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline
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N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 5131485
N-(2-methoxyphenyl)oxolan-3-amine
CID 14978001
methyl 2-[4-(2-methoxyanilino)piperidin-1-yl]acetate
CID 71857529
2-chloro-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone
CID 154803745
(3R)-3-(2-methylanilino)cyclopentan-1-one
CID 124706751
4-[(3-methoxy-2-methyl-4-pyridinyl)amino]cyclohexan-1-one
CID 19693951
2-methoxy-N-[(1S,2R)-2-methylcyclopentyl]aniline
CID 97030521
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine
CID 3362451

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyanilino)cyclohexan-1-one?
The IUPAC name of 4-(2-methoxyanilino)cyclohexan-1-one (CID 117027862) is 4-(2-methoxyanilino)cyclohexan-1-one.
What is the SMILES notation for 4-(2-methoxyanilino)cyclohexan-1-one?
The canonical SMILES for 4-(2-methoxyanilino)cyclohexan-1-one is COc1ccccc1NC1CCC(=O)CC1.
What is the InChIKey of 4-(2-methoxyanilino)cyclohexan-1-one?
The InChIKey is DMNVQRGHHJEGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-13-5-3-2-4-12(13)14-10-6-8-11(15)9-7-10/h2-5,10,14H,6-9H2,1H3.
What are the key properties of 4-(2-methoxyanilino)cyclohexan-1-one?
4-(2-methoxyanilino)cyclohexan-1-one has a molecular weight of 219.28 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyanilino)cyclohexan-1-one is sourced from PubChem (CID 117027862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).