2-cyclohexyl-3-(propylamino)phenol

C15H23NO — CID 90947994

IUPAC2-cyclohexyl-3-(propylamino)phenol
SMILESCCCNc1cccc(O)c1C1CCCCC1
InChIInChI=1S/C15H23NO/c1-2-11-16-13-9-6-10-14(17)15(13)12-7-4-3-5-8-12/h6,9-10,12,16-17H,2-5,7-8,11H2,1H3
InChIKeyGRXZNNPQKJDZDE-UHFFFAOYSA-N
MW233.35 g/mol
LogP4.26
Rot. Bonds4

About 2-cyclohexyl-3-(propylamino)phenol

2-cyclohexyl-3-(propylamino)phenol (PubChem CID 90947994) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-cyclohexyl-3-(propylamino)phenol.

Molecular Properties

Compound Name2-cyclohexyl-3-(propylamino)phenol
PubChem CID90947994
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-cyclohexyl-3-(propylamino)phenol
SMILESCCCNc1cccc(O)c1C1CCCCC1
InChIInChI=1S/C15H23NO/c1-2-11-16-13-9-6-10-14(17)15(13)12-7-4-3-5-8-12/h6,9-10,12,16-17H,2-5,7-8,11H2,1H3
InChIKeyGRXZNNPQKJDZDE-UHFFFAOYSA-N
XLogP4.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-(propylamino)phenol?
The IUPAC name of 2-cyclohexyl-3-(propylamino)phenol (CID 90947994) is 2-cyclohexyl-3-(propylamino)phenol.
What is the SMILES notation for 2-cyclohexyl-3-(propylamino)phenol?
The canonical SMILES for 2-cyclohexyl-3-(propylamino)phenol is CCCNc1cccc(O)c1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-(propylamino)phenol?
The InChIKey is GRXZNNPQKJDZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-11-16-13-9-6-10-14(17)15(13)12-7-4-3-5-8-12/h6,9-10,12,16-17H,2-5,7-8,11H2,1H3.
What are the key properties of 2-cyclohexyl-3-(propylamino)phenol?
2-cyclohexyl-3-(propylamino)phenol has a molecular weight of 233.35 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-(propylamino)phenol is sourced from PubChem (CID 90947994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).