3-[cyclohexyl(propyl)amino]phenol

C15H23NO — CID 57226980

IUPAC3-[cyclohexyl(propyl)amino]phenol
SMILESCCCN(c1cccc(O)c1)C1CCCCC1
InChIInChI=1S/C15H23NO/c1-2-11-16(13-7-4-3-5-8-13)14-9-6-10-15(17)12-14/h6,9-10,12-13,17H,2-5,7-8,11H2,1H3
InChIKeyZDQIJSBZPKBLIG-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.94
Rot. Bonds4

About 3-[cyclohexyl(propyl)amino]phenol

3-[cyclohexyl(propyl)amino]phenol (PubChem CID 57226980) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-[cyclohexyl(propyl)amino]phenol.

Molecular Properties

Compound Name3-[cyclohexyl(propyl)amino]phenol
PubChem CID57226980
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-[cyclohexyl(propyl)amino]phenol
SMILESCCCN(c1cccc(O)c1)C1CCCCC1
InChIInChI=1S/C15H23NO/c1-2-11-16(13-7-4-3-5-8-13)14-9-6-10-15(17)12-14/h6,9-10,12-13,17H,2-5,7-8,11H2,1H3
InChIKeyZDQIJSBZPKBLIG-UHFFFAOYSA-N
XLogP3.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(propyl)amino]phenol?
The IUPAC name of 3-[cyclohexyl(propyl)amino]phenol (CID 57226980) is 3-[cyclohexyl(propyl)amino]phenol.
What is the SMILES notation for 3-[cyclohexyl(propyl)amino]phenol?
The canonical SMILES for 3-[cyclohexyl(propyl)amino]phenol is CCCN(c1cccc(O)c1)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(propyl)amino]phenol?
The InChIKey is ZDQIJSBZPKBLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-11-16(13-7-4-3-5-8-13)14-9-6-10-15(17)12-14/h6,9-10,12-13,17H,2-5,7-8,11H2,1H3.
What are the key properties of 3-[cyclohexyl(propyl)amino]phenol?
3-[cyclohexyl(propyl)amino]phenol has a molecular weight of 233.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(propyl)amino]phenol is sourced from PubChem (CID 57226980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).