4-(cyclooctylmethylamino)phenol

C15H23NO — CID 53404225

IUPAC4-(cyclooctylmethylamino)phenol
SMILESOc1ccc(NCC2CCCCCCC2)cc1
InChIInChI=1S/C15H23NO/c17-15-10-8-14(9-11-15)16-12-13-6-4-2-1-3-5-7-13/h8-11,13,16-17H,1-7,12H2
InChIKeyJPWSECJBEYHZPQ-UHFFFAOYSA-N
MW233.35 g/mol
LogP4.16
Rot. Bonds3

About 4-(cyclooctylmethylamino)phenol

4-(cyclooctylmethylamino)phenol (PubChem CID 53404225) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-(cyclooctylmethylamino)phenol.

Molecular Properties

Compound Name4-(cyclooctylmethylamino)phenol
PubChem CID53404225
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-(cyclooctylmethylamino)phenol
SMILESOc1ccc(NCC2CCCCCCC2)cc1
InChIInChI=1S/C15H23NO/c17-15-10-8-14(9-11-15)16-12-13-6-4-2-1-3-5-7-13/h8-11,13,16-17H,1-7,12H2
InChIKeyJPWSECJBEYHZPQ-UHFFFAOYSA-N
XLogP4.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclohexylmethylamino)benzoic acid
CID 13273360
1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea
CID 108902801
5-(cycloheptylmethylamino)-2-methylphenol
CID 107699720
N-(cyclohexylmethyl)-4-propan-2-yloxyaniline
CID 28969668
N-(cyclohexylmethyl)-4-cyclopentylsulfanylaniline
CID 43726315
N-(cyclohexylmethyl)-4-piperidin-1-ylaniline
CID 43228030
4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenol
CID 22155587
N-benzoyl-4-(cyclohexylmethylamino)benzamide
CID 13273362
N-(cyclohexylmethyl)-3,4-dimethylaniline
CID 18778522
2,6-dichloro-4-(cycloheptylmethylamino)phenol
CID 107678839
1-[4-(cyclopentylmethylamino)phenyl]propan-1-one
CID 114066650
4-(cyclobutylmethylamino)benzamide
CID 65459398

Frequently Asked Questions

What is the IUPAC name of 4-(cyclooctylmethylamino)phenol?
The IUPAC name of 4-(cyclooctylmethylamino)phenol (CID 53404225) is 4-(cyclooctylmethylamino)phenol.
What is the SMILES notation for 4-(cyclooctylmethylamino)phenol?
The canonical SMILES for 4-(cyclooctylmethylamino)phenol is Oc1ccc(NCC2CCCCCCC2)cc1.
What is the InChIKey of 4-(cyclooctylmethylamino)phenol?
The InChIKey is JPWSECJBEYHZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c17-15-10-8-14(9-11-15)16-12-13-6-4-2-1-3-5-7-13/h8-11,13,16-17H,1-7,12H2.
What are the key properties of 4-(cyclooctylmethylamino)phenol?
4-(cyclooctylmethylamino)phenol has a molecular weight of 233.35 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclooctylmethylamino)phenol is sourced from PubChem (CID 53404225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).