2-[(5-bromo-2-pyridinyl)methyl-cyclohexylamino]ethanol

C14H21BrN2O — CID 113239605

IUPAC2-[(5-bromo-2-pyridinyl)methyl-cyclohexylamino]ethanol
SMILESOCCN(Cc1ccc(Br)cn1)C1CCCCC1
InChIInChI=1S/C14H21BrN2O/c15-12-6-7-13(16-10-12)11-17(8-9-18)14-4-2-1-3-5-14/h6-7,10,14,18H,1-5,8-9,11H2
InChIKeyIFNYDNYLZWEBON-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.97
Rot. Bonds5

About 2-[(5-bromo-2-pyridinyl)methyl-cyclohexylamino]ethanol

2-[(5-bromo-2-pyridinyl)methyl-cyclohexylamino]ethanol (PubChem CID 113239605) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)methyl-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)methyl-cyclohexylamino]ethanol
PubChem CID113239605
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-[(5-bromo-2-pyridinyl)methyl-cyclohexylamino]ethanol
SMILESOCCN(Cc1ccc(Br)cn1)C1CCCCC1
InChIInChI=1S/C14H21BrN2O/c15-12-6-7-13(16-10-12)11-17(8-9-18)14-4-2-1-3-5-14/h6-7,10,14,18H,1-5,8-9,11H2
InChIKeyIFNYDNYLZWEBON-UHFFFAOYSA-N
XLogP2.97
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine
CID 104798115
2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetic acid
CID 113394093
2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetamide
CID 113234633
N-[(5-bromo-2-pyridinyl)methyl]-N-propylpiperidin-4-amine
CID 115741636
2-[cyclopentyl(pyrazin-2-ylmethyl)amino]ethanol
CID 62016639
N-[(5-bromo-2-pyridinyl)methyl]-N-(2-methylpropyl)cyclopropanamine
CID 115622615
N-(5-bromo-2-pyridinyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102676743
2-[cyclohexyl-[[5-(ethylamino)pyrazin-2-yl]methyl]amino]ethanol
CID 103056002
2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol
CID 60694517
2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol
CID 54993281
N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 115622551
2-[(5-bromo-2-pyridinyl)methyl-propylamino]ethanol
CID 115622576

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl-cyclohexylamino]ethanol?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl-cyclohexylamino]ethanol (CID 113239605) is 2-[(5-bromo-2-pyridinyl)methyl-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)methyl-cyclohexylamino]ethanol?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)methyl-cyclohexylamino]ethanol is OCCN(Cc1ccc(Br)cn1)C1CCCCC1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)methyl-cyclohexylamino]ethanol?
The InChIKey is IFNYDNYLZWEBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c15-12-6-7-13(16-10-12)11-17(8-9-18)14-4-2-1-3-5-14/h6-7,10,14,18H,1-5,8-9,11H2.
What are the key properties of 2-[(5-bromo-2-pyridinyl)methyl-cyclohexylamino]ethanol?
2-[(5-bromo-2-pyridinyl)methyl-cyclohexylamino]ethanol has a molecular weight of 313.24 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)methyl-cyclohexylamino]ethanol is sourced from PubChem (CID 113239605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).