2-(2-aminoethyl)-5-(dibutylamino)phenol

C16H28N2O — CID 170868882

IUPAC2-(2-aminoethyl)-5-(dibutylamino)phenol
SMILESCCCCN(CCCC)c1ccc(CCN)c(O)c1
InChIInChI=1S/C16H28N2O/c1-3-5-11-18(12-6-4-2)15-8-7-14(9-10-17)16(19)13-15/h7-8,13,19H,3-6,9-12,17H2,1-2H3
InChIKeyIPOSBTFNCRBBGL-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.30
Rot. Bonds9

About 2-(2-aminoethyl)-5-(dibutylamino)phenol

2-(2-aminoethyl)-5-(dibutylamino)phenol (PubChem CID 170868882) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-(dibutylamino)phenol.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-(dibutylamino)phenol
PubChem CID170868882
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-(2-aminoethyl)-5-(dibutylamino)phenol
SMILESCCCCN(CCCC)c1ccc(CCN)c(O)c1
InChIInChI=1S/C16H28N2O/c1-3-5-11-18(12-6-4-2)15-8-7-14(9-10-17)16(19)13-15/h7-8,13,19H,3-6,9-12,17H2,1-2H3
InChIKeyIPOSBTFNCRBBGL-UHFFFAOYSA-N
XLogP3.30
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-(dibutylamino)phenol?
The IUPAC name of 2-(2-aminoethyl)-5-(dibutylamino)phenol (CID 170868882) is 2-(2-aminoethyl)-5-(dibutylamino)phenol.
What is the SMILES notation for 2-(2-aminoethyl)-5-(dibutylamino)phenol?
The canonical SMILES for 2-(2-aminoethyl)-5-(dibutylamino)phenol is CCCCN(CCCC)c1ccc(CCN)c(O)c1.
What is the InChIKey of 2-(2-aminoethyl)-5-(dibutylamino)phenol?
The InChIKey is IPOSBTFNCRBBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-5-11-18(12-6-4-2)15-8-7-14(9-10-17)16(19)13-15/h7-8,13,19H,3-6,9-12,17H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-5-(dibutylamino)phenol?
2-(2-aminoethyl)-5-(dibutylamino)phenol has a molecular weight of 264.41 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-(dibutylamino)phenol is sourced from PubChem (CID 170868882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).