2-[N-cyclobutyl-4-methyl-2-(methylaminomethyl)anilino]ethanol

C15H24N2O — CID 114055126

IUPAC2-[N-cyclobutyl-4-methyl-2-(methylaminomethyl)anilino]ethanol
SMILESCNCc1cc(C)ccc1N(CCO)C1CCC1
InChIInChI=1S/C15H24N2O/c1-12-6-7-15(13(10-12)11-16-2)17(8-9-18)14-4-3-5-14/h6-7,10,14,16,18H,3-5,8-9,11H2,1-2H3
InChIKeyMISPNYVDCAJNKW-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.07
Rot. Bonds6

About 2-[N-cyclobutyl-4-methyl-2-(methylaminomethyl)anilino]ethanol

2-[N-cyclobutyl-4-methyl-2-(methylaminomethyl)anilino]ethanol (PubChem CID 114055126) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[N-cyclobutyl-4-methyl-2-(methylaminomethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-cyclobutyl-4-methyl-2-(methylaminomethyl)anilino]ethanol
PubChem CID114055126
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[N-cyclobutyl-4-methyl-2-(methylaminomethyl)anilino]ethanol
SMILESCNCc1cc(C)ccc1N(CCO)C1CCC1
InChIInChI=1S/C15H24N2O/c1-12-6-7-15(13(10-12)11-16-2)17(8-9-18)14-4-3-5-14/h6-7,10,14,16,18H,3-5,8-9,11H2,1-2H3
InChIKeyMISPNYVDCAJNKW-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol
CID 62130646
2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol
CID 54994722
2-[2-bromo-N-cyclobutyl-4-(methylaminomethyl)anilino]ethanol
CID 114062871
2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol
CID 62123664
2-[4-chloro-N-cyclohexyl-2-(ethylaminomethyl)anilino]ethanol
CID 114849856
2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
CID 54995402
2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929848
2-[N-cyclopentyl-4-(methylaminomethyl)anilino]ethanol
CID 54994543
2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol
CID 102864917
2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
CID 102863021
2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol
CID 54994152
2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol
CID 54994918

Frequently Asked Questions

What is the IUPAC name of 2-[N-cyclobutyl-4-methyl-2-(methylaminomethyl)anilino]ethanol?
The IUPAC name of 2-[N-cyclobutyl-4-methyl-2-(methylaminomethyl)anilino]ethanol (CID 114055126) is 2-[N-cyclobutyl-4-methyl-2-(methylaminomethyl)anilino]ethanol.
What is the SMILES notation for 2-[N-cyclobutyl-4-methyl-2-(methylaminomethyl)anilino]ethanol?
The canonical SMILES for 2-[N-cyclobutyl-4-methyl-2-(methylaminomethyl)anilino]ethanol is CNCc1cc(C)ccc1N(CCO)C1CCC1.
What is the InChIKey of 2-[N-cyclobutyl-4-methyl-2-(methylaminomethyl)anilino]ethanol?
The InChIKey is MISPNYVDCAJNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-6-7-15(13(10-12)11-16-2)17(8-9-18)14-4-3-5-14/h6-7,10,14,16,18H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-[N-cyclobutyl-4-methyl-2-(methylaminomethyl)anilino]ethanol?
2-[N-cyclobutyl-4-methyl-2-(methylaminomethyl)anilino]ethanol has a molecular weight of 248.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-cyclobutyl-4-methyl-2-(methylaminomethyl)anilino]ethanol is sourced from PubChem (CID 114055126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).