1-[4-(cyclohexylamino)-2-methylphenyl]ethanone

C15H21NO — CID 20716281

IUPAC1-[4-(cyclohexylamino)-2-methylphenyl]ethanone
SMILESCC(=O)c1ccc(NC2CCCCC2)cc1C
InChIInChI=1S/C15H21NO/c1-11-10-14(8-9-15(11)12(2)17)16-13-6-4-3-5-7-13/h8-10,13,16H,3-7H2,1-2H3
InChIKeyQCRADUIRQFHEDN-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.94
Rot. Bonds3

About 1-[4-(cyclohexylamino)-2-methylphenyl]ethanone

1-[4-(cyclohexylamino)-2-methylphenyl]ethanone (PubChem CID 20716281) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[4-(cyclohexylamino)-2-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(cyclohexylamino)-2-methylphenyl]ethanone
PubChem CID20716281
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[4-(cyclohexylamino)-2-methylphenyl]ethanone
SMILESCC(=O)c1ccc(NC2CCCCC2)cc1C
InChIInChI=1S/C15H21NO/c1-11-10-14(8-9-15(11)12(2)17)16-13-6-4-3-5-7-13/h8-10,13,16H,3-7H2,1-2H3
InChIKeyQCRADUIRQFHEDN-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[4-(1-oxopropyl)phenyl]acetamide
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N-(9,10-Dihydro-9,10-dioxo-2-phenanthrenyl)-2,2-dimethyl-propanamide
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1-[3-Fluoro-4-(piperidin-1-yl)phenyl]ethan-1-one
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N-(p-acetylphenyl)acetamide
CID 75937
4-Dimethylaminoacetophenone
CID 75037
N-(5-Oxo-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 2780190
4-(4-Toluidino)-1,2-naphthalenedione
CID 272567
Shellfish, unspecified
CID 584435

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohexylamino)-2-methylphenyl]ethanone?
The IUPAC name of 1-[4-(cyclohexylamino)-2-methylphenyl]ethanone (CID 20716281) is 1-[4-(cyclohexylamino)-2-methylphenyl]ethanone.
What is the SMILES notation for 1-[4-(cyclohexylamino)-2-methylphenyl]ethanone?
The canonical SMILES for 1-[4-(cyclohexylamino)-2-methylphenyl]ethanone is CC(=O)c1ccc(NC2CCCCC2)cc1C.
What is the InChIKey of 1-[4-(cyclohexylamino)-2-methylphenyl]ethanone?
The InChIKey is QCRADUIRQFHEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-10-14(8-9-15(11)12(2)17)16-13-6-4-3-5-7-13/h8-10,13,16H,3-7H2,1-2H3.
What are the key properties of 1-[4-(cyclohexylamino)-2-methylphenyl]ethanone?
1-[4-(cyclohexylamino)-2-methylphenyl]ethanone has a molecular weight of 231.34 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohexylamino)-2-methylphenyl]ethanone is sourced from PubChem (CID 20716281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).