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

C18H30N2O — CID 79590748

IUPAC2-[1-(ethylamino)ethyl]-5-[methyl-(2-methylcyclohexyl)amino]phenol
SMILESCCNC(C)c1ccc(N(C)C2CCCCC2C)cc1O
InChIInChI=1S/C18H30N2O/c1-5-19-14(3)16-11-10-15(12-18(16)21)20(4)17-9-7-6-8-13(17)2/h10-14,17,19,21H,5-9H2,1-4H3
InChIKeyJXRGTALNKGZPQE-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.08
Rot. Bonds5

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

2-[1-(ethylamino)ethyl]-5-[methyl-(2-methylcyclohexyl)amino]phenol (PubChem CID 79590748) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[1-(ethylamino)ethyl]-5-[methyl-(2-methylcyclohexyl)amino]phenol.

Molecular Properties

Compound Name2-[1-(ethylamino)ethyl]-5-[methyl-(2-methylcyclohexyl)amino]phenol
PubChem CID79590748
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[1-(ethylamino)ethyl]-5-[methyl-(2-methylcyclohexyl)amino]phenol
SMILESCCNC(C)c1ccc(N(C)C2CCCCC2C)cc1O
InChIInChI=1S/C18H30N2O/c1-5-19-14(3)16-11-10-15(12-18(16)21)20(4)17-9-7-6-8-13(17)2/h10-14,17,19,21H,5-9H2,1-4H3
InChIKeyJXRGTALNKGZPQE-UHFFFAOYSA-N
XLogP4.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.08
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-[cyclopropyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol
CID 79600599
2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol
CID 79603823
5-[cyclopentylmethyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79591221
N-methyl-N-(2-methylcyclohexyl)-2-[1-(propylamino)ethyl]aniline
CID 63532695
5-[bis(prop-2-enyl)amino]-2-[1-(ethylamino)ethyl]phenol
CID 79600227
2-[2-[1-(ethylamino)ethyl]-N-methylanilino]cyclohexan-1-ol
CID 102632638
5-[methyl(oxan-4-yl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79590461
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
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
5-[butan-2-yl(butyl)amino]-2-[1-(ethylamino)ethyl]phenol
CID 79590746
1-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]-4-methylazepan-4-ol
CID 107404966

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)ethyl]-5-[methyl-(2-methylcyclohexyl)amino]phenol?
The IUPAC name of 2-[1-(ethylamino)ethyl]-5-[methyl-(2-methylcyclohexyl)amino]phenol (CID 79590748) is 2-[1-(ethylamino)ethyl]-5-[methyl-(2-methylcyclohexyl)amino]phenol.
What is the SMILES notation for 2-[1-(ethylamino)ethyl]-5-[methyl-(2-methylcyclohexyl)amino]phenol?
The canonical SMILES for 2-[1-(ethylamino)ethyl]-5-[methyl-(2-methylcyclohexyl)amino]phenol is CCNC(C)c1ccc(N(C)C2CCCCC2C)cc1O.
What is the InChIKey of 2-[1-(ethylamino)ethyl]-5-[methyl-(2-methylcyclohexyl)amino]phenol?
The InChIKey is JXRGTALNKGZPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-19-14(3)16-11-10-15(12-18(16)21)20(4)17-9-7-6-8-13(17)2/h10-14,17,19,21H,5-9H2,1-4H3.
What are the key properties of 2-[1-(ethylamino)ethyl]-5-[methyl-(2-methylcyclohexyl)amino]phenol?
2-[1-(ethylamino)ethyl]-5-[methyl-(2-methylcyclohexyl)amino]phenol has a molecular weight of 290.45 g/mol, XLogP of 4.08, 5 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-methylcyclohexyl)amino]phenol is sourced from PubChem (CID 79590748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).