2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol

C13H19BrN2O — CID 113452105

IUPAC2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol
SMILESOCCN(c1ccncc1Br)C1CCCCC1
InChIInChI=1S/C13H19BrN2O/c14-12-10-15-7-6-13(12)16(8-9-17)11-4-2-1-3-5-11/h6-7,10-11,17H,1-5,8-9H2
InChIKeyAKTQVAHHFFENJF-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.98
Rot. Bonds4

About 2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol

2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol (PubChem CID 113452105) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol
PubChem CID113452105
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol
SMILESOCCN(c1ccncc1Br)C1CCCCC1
InChIInChI=1S/C13H19BrN2O/c14-12-10-15-7-6-13(12)16(8-9-17)11-4-2-1-3-5-11/h6-7,10-11,17H,1-5,8-9H2
InChIKeyAKTQVAHHFFENJF-UHFFFAOYSA-N
XLogP2.98
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide
CID 104778295
3-[cyclopentyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid
CID 105062667
N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-4-amine
CID 80668501
3-[(3-bromo-4-pyridinyl)-cyclopropylamino]propanenitrile
CID 104776567
1-[3-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]phenyl]ethanone
CID 55132262
3-[(3-bromo-4-pyridinyl)-cyclopropylamino]-N'-hydroxypropanimidamide
CID 104776684
N'-(3-chloro-4-pyridinyl)-N'-cyclohexylethane-1,2-diamine
CID 79840472
5-bromo-2-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
CID 114061228
2-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
CID 114060030
2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol
CID 54994680
2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]ethanol
CID 104777752
2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol
CID 114836476

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol?
The IUPAC name of 2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol (CID 113452105) is 2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol?
The canonical SMILES for 2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol is OCCN(c1ccncc1Br)C1CCCCC1.
What is the InChIKey of 2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol?
The InChIKey is AKTQVAHHFFENJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c14-12-10-15-7-6-13(12)16(8-9-17)11-4-2-1-3-5-11/h6-7,10-11,17H,1-5,8-9H2.
What are the key properties of 2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol?
2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol has a molecular weight of 299.21 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol is sourced from PubChem (CID 113452105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).