2-[2-(cyclohexylamino)phenyl]ethenone

C14H17NO — CID 176534727

IUPAC2-[2-(cyclohexylamino)phenyl]ethenone
SMILESO=C=Cc1ccccc1NC1CCCCC1
InChIInChI=1S/C14H17NO/c16-11-10-12-6-4-5-9-14(12)15-13-7-2-1-3-8-13/h4-6,9-10,13,15H,1-3,7-8H2
InChIKeyYMLRADKYPYMLHW-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.28
Rot. Bonds3

About 2-[2-(cyclohexylamino)phenyl]ethenone

2-[2-(cyclohexylamino)phenyl]ethenone (PubChem CID 176534727) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[2-(cyclohexylamino)phenyl]ethenone.

Molecular Properties

Compound Name2-[2-(cyclohexylamino)phenyl]ethenone
PubChem CID176534727
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-[2-(cyclohexylamino)phenyl]ethenone
SMILESO=C=Cc1ccccc1NC1CCCCC1
InChIInChI=1S/C14H17NO/c16-11-10-12-6-4-5-9-14(12)15-13-7-2-1-3-8-13/h4-6,9-10,13,15H,1-3,7-8H2
InChIKeyYMLRADKYPYMLHW-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-ethenylaniline
CID 148703005
N-cyclohexyl-2-cyclooctylaniline
CID 155278581
2-(cyclopentylamino)benzonitrile
CID 10535560
1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726463
2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide
CID 43454674
N-(2-ethylsulfonylphenyl)cycloheptanamine
CID 43453589
N-cyclohexyl-2-(diethylaminomethyl)aniline
CID 43729330
N-cyclohexyl-2-morpholin-4-ylaniline
CID 43717230
2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide
CID 43454494
3-N-cyclohexylbenzene-1,2,3-triamine
CID 14942290
1-N-cyclopentyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726461
N-[2-(cyclohexylamino)phenyl]-3-hydroxypropanamide
CID 134342494

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylamino)phenyl]ethenone?
The IUPAC name of 2-[2-(cyclohexylamino)phenyl]ethenone (CID 176534727) is 2-[2-(cyclohexylamino)phenyl]ethenone.
What is the SMILES notation for 2-[2-(cyclohexylamino)phenyl]ethenone?
The canonical SMILES for 2-[2-(cyclohexylamino)phenyl]ethenone is O=C=Cc1ccccc1NC1CCCCC1.
What is the InChIKey of 2-[2-(cyclohexylamino)phenyl]ethenone?
The InChIKey is YMLRADKYPYMLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c16-11-10-12-6-4-5-9-14(12)15-13-7-2-1-3-8-13/h4-6,9-10,13,15H,1-3,7-8H2.
What are the key properties of 2-[2-(cyclohexylamino)phenyl]ethenone?
2-[2-(cyclohexylamino)phenyl]ethenone has a molecular weight of 215.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylamino)phenyl]ethenone is sourced from PubChem (CID 176534727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).