5-[butan-2-yl(butyl)amino]-2-[1-(ethylamino)ethyl]phenol

C18H32N2O — CID 79590746

IUPAC5-[butan-2-yl(butyl)amino]-2-[1-(ethylamino)ethyl]phenol
SMILESCCCCN(c1ccc(C(C)NCC)c(O)c1)C(C)CC
InChIInChI=1S/C18H32N2O/c1-6-9-12-20(14(4)7-2)16-10-11-17(18(21)13-16)15(5)19-8-3/h10-11,13-15,19,21H,6-9,12H2,1-5H3
InChIKeyZEDVVWMWEGXKMO-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.47
Rot. Bonds9

About 5-[butan-2-yl(butyl)amino]-2-[1-(ethylamino)ethyl]phenol

5-[butan-2-yl(butyl)amino]-2-[1-(ethylamino)ethyl]phenol (PubChem CID 79590746) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 5-[butan-2-yl(butyl)amino]-2-[1-(ethylamino)ethyl]phenol.

Molecular Properties

Compound Name5-[butan-2-yl(butyl)amino]-2-[1-(ethylamino)ethyl]phenol
PubChem CID79590746
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name5-[butan-2-yl(butyl)amino]-2-[1-(ethylamino)ethyl]phenol
SMILESCCCCN(c1ccc(C(C)NCC)c(O)c1)C(C)CC
InChIInChI=1S/C18H32N2O/c1-6-9-12-20(14(4)7-2)16-10-11-17(18(21)13-16)15(5)19-8-3/h10-11,13-15,19,21H,6-9,12H2,1-5H3
InChIKeyZEDVVWMWEGXKMO-UHFFFAOYSA-N
XLogP4.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[bis(prop-2-enyl)amino]-2-[1-(ethylamino)ethyl]phenol
CID 79600227
2-[1-(ethylamino)ethyl]-5-[ethyl(2,2,2-trifluoroethyl)amino]phenol
CID 79603980
2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol
CID 79603823
2-[1-(ethylamino)ethyl]-5-[methyl(3,3,3-trifluoropropyl)amino]phenol
CID 79603229
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
3-[butan-2-yl(butyl)amino]phenol
CID 67927782
2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol
CID 79604182
5-[cyclopropyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol
CID 79600599
5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79603717
5-[5-hydroxypentyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 107200476
2-[1-(ethylamino)ethyl]-5-[methyl-(2-methylcyclohexyl)amino]phenol
CID 79590748
5-[methyl(3-methylbutyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79603970

Frequently Asked Questions

What is the IUPAC name of 5-[butan-2-yl(butyl)amino]-2-[1-(ethylamino)ethyl]phenol?
The IUPAC name of 5-[butan-2-yl(butyl)amino]-2-[1-(ethylamino)ethyl]phenol (CID 79590746) is 5-[butan-2-yl(butyl)amino]-2-[1-(ethylamino)ethyl]phenol.
What is the SMILES notation for 5-[butan-2-yl(butyl)amino]-2-[1-(ethylamino)ethyl]phenol?
The canonical SMILES for 5-[butan-2-yl(butyl)amino]-2-[1-(ethylamino)ethyl]phenol is CCCCN(c1ccc(C(C)NCC)c(O)c1)C(C)CC.
What is the InChIKey of 5-[butan-2-yl(butyl)amino]-2-[1-(ethylamino)ethyl]phenol?
The InChIKey is ZEDVVWMWEGXKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-9-12-20(14(4)7-2)16-10-11-17(18(21)13-16)15(5)19-8-3/h10-11,13-15,19,21H,6-9,12H2,1-5H3.
What are the key properties of 5-[butan-2-yl(butyl)amino]-2-[1-(ethylamino)ethyl]phenol?
5-[butan-2-yl(butyl)amino]-2-[1-(ethylamino)ethyl]phenol has a molecular weight of 292.47 g/mol, XLogP of 4.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butan-2-yl(butyl)amino]-2-[1-(ethylamino)ethyl]phenol is sourced from PubChem (CID 79590746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).