2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol

C16H28N2O — CID 79603823

IUPAC2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol
SMILESCCNC(C)c1ccc(N(C)C(C)(C)CC)cc1O
InChIInChI=1S/C16H28N2O/c1-7-16(4,5)18(6)13-9-10-14(15(19)11-13)12(3)17-8-2/h9-12,17,19H,7-8H2,1-6H3
InChIKeyBNMMBMGBMUSJPP-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.69
Rot. Bonds6

About 2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol

2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol (PubChem CID 79603823) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol.

Molecular Properties

Compound Name2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol
PubChem CID79603823
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol
SMILESCCNC(C)c1ccc(N(C)C(C)(C)CC)cc1O
InChIInChI=1S/C16H28N2O/c1-7-16(4,5)18(6)13-9-10-14(15(19)11-13)12(3)17-8-2/h9-12,17,19H,7-8H2,1-6H3
InChIKeyBNMMBMGBMUSJPP-UHFFFAOYSA-N
XLogP3.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.69
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-[ethyl(2,2,2-trifluoroethyl)amino]phenol
CID 79603980
2-[1-(ethylamino)ethyl]-5-[methyl(3,3,3-trifluoropropyl)amino]phenol
CID 79603229
5-[bis(prop-2-enyl)amino]-2-[1-(ethylamino)ethyl]phenol
CID 79600227
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
5-[cyclopropyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol
CID 79600599
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 82968175
5-[butan-2-yl(butyl)amino]-2-[1-(ethylamino)ethyl]phenol
CID 79590746
2-[1-(ethylamino)ethyl]-5-[methyl-(2-methylcyclohexyl)amino]phenol
CID 79590748
2-(1-aminoethyl)-5-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]phenol
CID 113475785
2-[1-(ethylamino)ethyl]-5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenol
CID 79591229
5-(N-methylanilino)-2-[1-(propylamino)ethyl]phenol
CID 79590195
5-[methyl(3-methylbutyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79603970

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol?
The IUPAC name of 2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol (CID 79603823) is 2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol.
What is the SMILES notation for 2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol?
The canonical SMILES for 2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol is CCNC(C)c1ccc(N(C)C(C)(C)CC)cc1O.
What is the InChIKey of 2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol?
The InChIKey is BNMMBMGBMUSJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-7-16(4,5)18(6)13-9-10-14(15(19)11-13)12(3)17-8-2/h9-12,17,19H,7-8H2,1-6H3.
What are the key properties of 2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol?
2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol has a molecular weight of 264.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol is sourced from PubChem (CID 79603823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).