4-[2-(cyclooctylamino)ethyl]phenol

C16H25NO — CID 61238875

IUPAC4-[2-(cyclooctylamino)ethyl]phenol
SMILESOc1ccc(CCNC2CCCCCCC2)cc1
InChIInChI=1S/C16H25NO/c18-16-10-8-14(9-11-16)12-13-17-15-6-4-2-1-3-5-7-15/h8-11,15,17-18H,1-7,12-13H2
InChIKeyCYRCWLFNKLDPKZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.64
Rot. Bonds4

About 4-[2-(cyclooctylamino)ethyl]phenol

4-[2-(cyclooctylamino)ethyl]phenol (PubChem CID 61238875) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[2-(cyclooctylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(cyclooctylamino)ethyl]phenol
PubChem CID61238875
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[2-(cyclooctylamino)ethyl]phenol
SMILESOc1ccc(CCNC2CCCCCCC2)cc1
InChIInChI=1S/C16H25NO/c18-16-10-8-14(9-11-16)12-13-17-15-6-4-2-1-3-5-7-15/h8-11,15,17-18H,1-7,12-13H2
InChIKeyCYRCWLFNKLDPKZ-UHFFFAOYSA-N
XLogP3.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(4-ethylcyclohexyl)amino]ethyl]phenol
CID 61238876
4-[(cyclopentylamino)methyl]phenol
CID 3873791
4-[2-[[(1S,2R)-2-hydroxycyclohexyl]amino]ethyl]phenol
CID 129394205
4-[2-[(4-tert-butylcyclohexyl)amino]ethyl]phenol
CID 61239240
4-[2-[(1-ethylpiperidin-4-yl)amino]ethyl]phenol
CID 61239241
N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine
CID 96661182
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
4-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]phenol
CID 61238378
N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine
CID 62551613
4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
CID 54995569
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine
CID 126728159
4-[2-[(2-tert-butylcyclohexyl)amino]ethyl]phenol
CID 61236716

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclooctylamino)ethyl]phenol?
The IUPAC name of 4-[2-(cyclooctylamino)ethyl]phenol (CID 61238875) is 4-[2-(cyclooctylamino)ethyl]phenol.
What is the SMILES notation for 4-[2-(cyclooctylamino)ethyl]phenol?
The canonical SMILES for 4-[2-(cyclooctylamino)ethyl]phenol is Oc1ccc(CCNC2CCCCCCC2)cc1.
What is the InChIKey of 4-[2-(cyclooctylamino)ethyl]phenol?
The InChIKey is CYRCWLFNKLDPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c18-16-10-8-14(9-11-16)12-13-17-15-6-4-2-1-3-5-7-15/h8-11,15,17-18H,1-7,12-13H2.
What are the key properties of 4-[2-(cyclooctylamino)ethyl]phenol?
4-[2-(cyclooctylamino)ethyl]phenol has a molecular weight of 247.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclooctylamino)ethyl]phenol is sourced from PubChem (CID 61238875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).