5-[1-[cyclohexyl(ethyl)amino]ethyl]benzene-1,3-diol

C16H25NO2 — CID 107707910

IUPAC5-[1-[cyclohexyl(ethyl)amino]ethyl]benzene-1,3-diol
SMILESCCN(C1CCCCC1)C(C)c1cc(O)cc(O)c1
InChIInChI=1S/C16H25NO2/c1-3-17(14-7-5-4-6-8-14)12(2)13-9-15(18)11-16(19)10-13/h9-12,14,18-19H,3-8H2,1-2H3
InChIKeyBKNYZVKEAIKLBT-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.81
Rot. Bonds4

About 5-[1-[cyclohexyl(ethyl)amino]ethyl]benzene-1,3-diol

5-[1-[cyclohexyl(ethyl)amino]ethyl]benzene-1,3-diol (PubChem CID 107707910) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-[1-[cyclohexyl(ethyl)amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[cyclohexyl(ethyl)amino]ethyl]benzene-1,3-diol
PubChem CID107707910
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name5-[1-[cyclohexyl(ethyl)amino]ethyl]benzene-1,3-diol
SMILESCCN(C1CCCCC1)C(C)c1cc(O)cc(O)c1
InChIInChI=1S/C16H25NO2/c1-3-17(14-7-5-4-6-8-14)12(2)13-9-15(18)11-16(19)10-13/h9-12,14,18-19H,3-8H2,1-2H3
InChIKeyBKNYZVKEAIKLBT-UHFFFAOYSA-N
XLogP3.81
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol
CID 107707670
N-ethyl-N-propan-2-ylcyclohexanamine;iodomethane
CID 143070375
5-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]benzene-1,3-diol
CID 107707663
2-N-cyclohexyl-2-N-ethylpropane-1,2-diamine
CID 16784373
2-[1-[cyclohexyl(ethyl)amino]propyl]phenol
CID 82974115
2-[[cycloheptyl(propan-2-yl)amino]methyl]phenol
CID 158739786
N-cyclohexyl-1-(3,5-dichlorophenyl)-N-ethylethane-1,2-diamine
CID 60790302
2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol
CID 63470374
5-[1-[ethyl(2-methylbutyl)amino]ethyl]benzene-1,3-diol
CID 107708163
3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid
CID 63074052
3-[cycloheptyl(1-phenylethyl)amino]propanoic acid
CID 82328438
N-ethyl-N-(1-phenylethyl)piperidin-3-amine
CID 63643629

Frequently Asked Questions

What is the IUPAC name of 5-[1-[cyclohexyl(ethyl)amino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[cyclohexyl(ethyl)amino]ethyl]benzene-1,3-diol (CID 107707910) is 5-[1-[cyclohexyl(ethyl)amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[cyclohexyl(ethyl)amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[cyclohexyl(ethyl)amino]ethyl]benzene-1,3-diol is CCN(C1CCCCC1)C(C)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-[cyclohexyl(ethyl)amino]ethyl]benzene-1,3-diol?
The InChIKey is BKNYZVKEAIKLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-17(14-7-5-4-6-8-14)12(2)13-9-15(18)11-16(19)10-13/h9-12,14,18-19H,3-8H2,1-2H3.
What are the key properties of 5-[1-[cyclohexyl(ethyl)amino]ethyl]benzene-1,3-diol?
5-[1-[cyclohexyl(ethyl)amino]ethyl]benzene-1,3-diol has a molecular weight of 263.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[cyclohexyl(ethyl)amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107707910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).