5-[cyclopropyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol

C15H24N2O — CID 79600599

IUPAC5-[cyclopropyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol
SMILESCCNC(C)c1ccc(N(CC)C2CC2)cc1O
InChIInChI=1S/C15H24N2O/c1-4-16-11(3)14-9-8-13(10-15(14)18)17(5-2)12-6-7-12/h8-12,16,18H,4-7H2,1-3H3
InChIKeySSIKJPMCSVEVGA-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.05
Rot. Bonds6

About 5-[cyclopropyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol

5-[cyclopropyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol (PubChem CID 79600599) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-[cyclopropyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol.

Molecular Properties

Compound Name5-[cyclopropyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol
PubChem CID79600599
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name5-[cyclopropyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol
SMILESCCNC(C)c1ccc(N(CC)C2CC2)cc1O
InChIInChI=1S/C15H24N2O/c1-4-16-11(3)14-9-8-13(10-15(14)18)17(5-2)12-6-7-12/h8-12,16,18H,4-7H2,1-3H3
InChIKeySSIKJPMCSVEVGA-UHFFFAOYSA-N
XLogP3.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.05
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

2-[1-(ethylamino)ethyl]-5-[methyl-(2-methylcyclohexyl)amino]phenol
CID 79590748
2-[1-(ethylamino)ethyl]-5-[ethyl(2,2,2-trifluoroethyl)amino]phenol
CID 79603980
3-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-4-[1-(ethylamino)ethyl]aniline
CID 64522368
5-[bis(prop-2-enyl)amino]-2-[1-(ethylamino)ethyl]phenol
CID 79600227
2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol
CID 79603823
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
N-cyclohexyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 43284232
5-[butan-2-yl(butyl)amino]-2-[1-(ethylamino)ethyl]phenol
CID 79590746
5-[cyclopropylmethyl(ethyl)amino]-2-[1-(methylamino)ethyl]phenol
CID 79603652
5-[methyl(oxan-4-yl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79590461
2-[1-(ethylamino)ethyl]-5-[methyl(3,3,3-trifluoropropyl)amino]phenol
CID 79603229
N-cyclopropyl-N-ethyl-4-[1-(methylamino)ethyl]aniline
CID 43284542

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol?
The IUPAC name of 5-[cyclopropyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol (CID 79600599) is 5-[cyclopropyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol.
What is the SMILES notation for 5-[cyclopropyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol?
The canonical SMILES for 5-[cyclopropyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol is CCNC(C)c1ccc(N(CC)C2CC2)cc1O.
What is the InChIKey of 5-[cyclopropyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol?
The InChIKey is SSIKJPMCSVEVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-16-11(3)14-9-8-13(10-15(14)18)17(5-2)12-6-7-12/h8-12,16,18H,4-7H2,1-3H3.
What are the key properties of 5-[cyclopropyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol?
5-[cyclopropyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol has a molecular weight of 248.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol is sourced from PubChem (CID 79600599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).