2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol

C15H23BrN2O — CID 102864917

IUPAC2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol
SMILESCCNCc1ccc(Br)cc1N(CCO)C1CCC1
InChIInChI=1S/C15H23BrN2O/c1-2-17-11-12-6-7-13(16)10-15(12)18(8-9-19)14-4-3-5-14/h6-7,10,14,17,19H,2-5,8-9,11H2,1H3
InChIKeyCRPVFPICYWEEAO-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.91
Rot. Bonds7

About 2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol

2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol (PubChem CID 102864917) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol
PubChem CID102864917
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol
SMILESCCNCc1ccc(Br)cc1N(CCO)C1CCC1
InChIInChI=1S/C15H23BrN2O/c1-2-17-11-12-6-7-13(16)10-15(12)18(8-9-19)14-4-3-5-14/h6-7,10,14,17,19H,2-5,8-9,11H2,1H3
InChIKeyCRPVFPICYWEEAO-UHFFFAOYSA-N
XLogP2.91
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-bromo-N-cyclobutyl-2-(propylaminomethyl)anilino]propan-1-ol
CID 102864710
2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol
CID 54994722
5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline
CID 43280842
4-bromo-2-[cyclobutyl(2-hydroxyethyl)amino]benzaldehyde
CID 102863660
2-[5-bromo-2-(ethylaminomethyl)-N-propylanilino]ethanol
CID 61424896
2-[4-chloro-N-cyclohexyl-2-(ethylaminomethyl)anilino]ethanol
CID 114849856
5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline
CID 43280941
5-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
CID 63553418
5-bromo-2-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
CID 114061228
[4-bromo-2-[butyl(cyclopropyl)amino]phenyl]methanol
CID 61445229
5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline
CID 63552851
5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline
CID 63956035

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol?
The IUPAC name of 2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol (CID 102864917) is 2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol.
What is the SMILES notation for 2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol?
The canonical SMILES for 2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol is CCNCc1ccc(Br)cc1N(CCO)C1CCC1.
What is the InChIKey of 2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol?
The InChIKey is CRPVFPICYWEEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-2-17-11-12-6-7-13(16)10-15(12)18(8-9-19)14-4-3-5-14/h6-7,10,14,17,19H,2-5,8-9,11H2,1H3.
What are the key properties of 2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol?
2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol has a molecular weight of 327.27 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol is sourced from PubChem (CID 102864917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).