2-[1-(cyclooctylamino)ethyl]benzene-1,3-diol

C16H25NO2 — CID 107710365

IUPAC2-[1-(cyclooctylamino)ethyl]benzene-1,3-diol
SMILESCC(NC1CCCCCCC1)c1c(O)cccc1O
InChIInChI=1S/C16H25NO2/c1-12(16-14(18)10-7-11-15(16)19)17-13-8-5-3-2-4-6-9-13/h7,10-13,17-19H,2-6,8-9H2,1H3
InChIKeyWZXGXGXCDUJLOY-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.86
Rot. Bonds3

About 2-[1-(cyclooctylamino)ethyl]benzene-1,3-diol

2-[1-(cyclooctylamino)ethyl]benzene-1,3-diol (PubChem CID 107710365) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[1-(cyclooctylamino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[1-(cyclooctylamino)ethyl]benzene-1,3-diol
PubChem CID107710365
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[1-(cyclooctylamino)ethyl]benzene-1,3-diol
SMILESCC(NC1CCCCCCC1)c1c(O)cccc1O
InChIInChI=1S/C16H25NO2/c1-12(16-14(18)10-7-11-15(16)19)17-13-8-5-3-2-4-6-9-13/h7,10-13,17-19H,2-6,8-9H2,1H3
InChIKeyWZXGXGXCDUJLOY-UHFFFAOYSA-N
XLogP3.86
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(4,4-dimethylcyclohexyl)amino]ethyl]benzene-1,3-diol
CID 107710994
2-[1-[(4-propylcyclohexyl)amino]ethyl]benzene-1,3-diol
CID 107710869
2-[1-(1-cyclohexylpropylamino)ethyl]benzene-1,3-diol
CID 107710925
N-(1-phenylethyl)cyclododecanamine
CID 60662638
N-[1-(2,6-dimethylphenyl)ethyl]cyclopropanamine
CID 130674214
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
4-bromo-2-[1-(cyclopentylamino)ethyl]phenol
CID 104581360
N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
CID 28555572
N-[1-(3-fluorophenyl)ethyl]cycloheptanamine
CID 43080032
2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol
CID 43202473
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598
4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluorophenol
CID 29038955

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclooctylamino)ethyl]benzene-1,3-diol?
The IUPAC name of 2-[1-(cyclooctylamino)ethyl]benzene-1,3-diol (CID 107710365) is 2-[1-(cyclooctylamino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 2-[1-(cyclooctylamino)ethyl]benzene-1,3-diol?
The canonical SMILES for 2-[1-(cyclooctylamino)ethyl]benzene-1,3-diol is CC(NC1CCCCCCC1)c1c(O)cccc1O.
What is the InChIKey of 2-[1-(cyclooctylamino)ethyl]benzene-1,3-diol?
The InChIKey is WZXGXGXCDUJLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(16-14(18)10-7-11-15(16)19)17-13-8-5-3-2-4-6-9-13/h7,10-13,17-19H,2-6,8-9H2,1H3.
What are the key properties of 2-[1-(cyclooctylamino)ethyl]benzene-1,3-diol?
2-[1-(cyclooctylamino)ethyl]benzene-1,3-diol has a molecular weight of 263.38 g/mol, XLogP of 3.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclooctylamino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 107710365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).