5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol

C16H28N2O2 — CID 79603717

IUPAC5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol
SMILESCCCNC(C)c1ccc(N(CCC)CCO)cc1O
InChIInChI=1S/C16H28N2O2/c1-4-8-17-13(3)15-7-6-14(12-16(15)20)18(9-5-2)10-11-19/h6-7,12-13,17,19-20H,4-5,8-11H2,1-3H3
InChIKeyOIBMLVLBILWODX-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.66
Rot. Bonds9

About 5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol

5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol (PubChem CID 79603717) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol.

Molecular Properties

Compound Name5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol
PubChem CID79603717
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol
SMILESCCCNC(C)c1ccc(N(CCC)CCO)cc1O
InChIInChI=1S/C16H28N2O2/c1-4-8-17-13(3)15-7-6-14(12-16(15)20)18(9-5-2)10-11-19/h6-7,12-13,17,19-20H,4-5,8-11H2,1-3H3
InChIKeyOIBMLVLBILWODX-UHFFFAOYSA-N
XLogP2.66
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-[5-hydroxypentyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 107200476
5-[methyl(3-methylbutyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79603970
5-(N-methylanilino)-2-[1-(propylamino)ethyl]phenol
CID 79590195
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
5-bromo-2-[1-(propylamino)ethyl]phenol
CID 82976016
5-[methyl(oxan-4-yl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79590461
2-[N-ethyl-4-fluoro-2-[1-(propylamino)ethyl]anilino]ethanol
CID 54879809
5-[cyclopentylmethyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79591221
5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol
CID 79603748
5-[2-(dimethylamino)ethyl-propylamino]-2-(1-hydroxyethyl)phenol
CID 79603080
5-[bis(prop-2-enyl)amino]-2-[1-(ethylamino)ethyl]phenol
CID 79600227
5-[butan-2-yl(butyl)amino]-2-[1-(ethylamino)ethyl]phenol
CID 79590746

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol?
The IUPAC name of 5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol (CID 79603717) is 5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol.
What is the SMILES notation for 5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol?
The canonical SMILES for 5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol is CCCNC(C)c1ccc(N(CCC)CCO)cc1O.
What is the InChIKey of 5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol?
The InChIKey is OIBMLVLBILWODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-8-17-13(3)15-7-6-14(12-16(15)20)18(9-5-2)10-11-19/h6-7,12-13,17,19-20H,4-5,8-11H2,1-3H3.
What are the key properties of 5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol?
5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol has a molecular weight of 280.41 g/mol, XLogP of 2.66, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol is sourced from PubChem (CID 79603717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).