3-(dibutylamino)phenol

C14H23NO — CID 601234

IUPAC3-(dibutylamino)phenol
SMILESCCCCN(CCCC)c1cccc(O)c1
InChIInChI=1S/C14H23NO/c1-3-5-10-15(11-6-4-2)13-8-7-9-14(16)12-13/h7-9,12,16H,3-6,10-11H2,1-2H3
InChIKeyKHSTZMGCKHBFJX-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.80
Rot. Bonds7

About 3-(dibutylamino)phenol

3-(dibutylamino)phenol (PubChem CID 601234) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(dibutylamino)phenol.

Molecular Properties

Compound Name3-(dibutylamino)phenol
PubChem CID601234
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(dibutylamino)phenol
SMILESCCCCN(CCCC)c1cccc(O)c1
InChIInChI=1S/C14H23NO/c1-3-5-10-15(11-6-4-2)13-8-7-9-14(16)12-13/h7-9,12,16H,3-6,10-11H2,1-2H3
InChIKeyKHSTZMGCKHBFJX-UHFFFAOYSA-N
XLogP3.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dibutylamino)phenol?
The IUPAC name of 3-(dibutylamino)phenol (CID 601234) is 3-(dibutylamino)phenol.
What is the SMILES notation for 3-(dibutylamino)phenol?
The canonical SMILES for 3-(dibutylamino)phenol is CCCCN(CCCC)c1cccc(O)c1.
What is the InChIKey of 3-(dibutylamino)phenol?
The InChIKey is KHSTZMGCKHBFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-5-10-15(11-6-4-2)13-8-7-9-14(16)12-13/h7-9,12,16H,3-6,10-11H2,1-2H3.
What are the key properties of 3-(dibutylamino)phenol?
3-(dibutylamino)phenol has a molecular weight of 221.34 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)phenol is sourced from PubChem (CID 601234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).