2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]ethanol

C10H15BrN2O — CID 104777752

IUPAC2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)c1ccncc1Br
InChIInChI=1S/C10H15BrN2O/c1-8(2)13(5-6-14)10-3-4-12-7-9(10)11/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyKYMHIZVOEUYWIA-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.05
Rot. Bonds4

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

2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]ethanol (PubChem CID 104777752) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]ethanol
PubChem CID104777752
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)c1ccncc1Br
InChIInChI=1S/C10H15BrN2O/c1-8(2)13(5-6-14)10-3-4-12-7-9(10)11/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyKYMHIZVOEUYWIA-UHFFFAOYSA-N
XLogP2.05
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromo-4-pyridinyl)-propan-2-ylamino]propanethioamide
CID 104776587
ethyl 2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]acetate
CID 104779166
2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
CID 107484125
2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol
CID 113452105
2-[2-bromo-N-propan-2-yl-4-(trifluoromethyl)anilino]ethanol
CID 113326013
3-[(3-nitro-4-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 61145730
3-[3-hydroxypropyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 105062664
2-[propan-2-yl(quinolin-4-yl)amino]ethanol
CID 61339739
N'-(3-bromo-4-pyridinyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 104779291
3-[(3-bromo-4-pyridinyl)amino]butan-1-ol
CID 104777212
3-(aminomethyl)-N-propan-2-yl-N-propylpyridin-4-amine
CID 81248637
3-[(3-bromo-4-pyridinyl)-methylamino]butanenitrile
CID 104776572

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]ethanol (CID 104777752) is 2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]ethanol is CC(C)N(CCO)c1ccncc1Br.
What is the InChIKey of 2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]ethanol?
The InChIKey is KYMHIZVOEUYWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-8(2)13(5-6-14)10-3-4-12-7-9(10)11/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of 2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]ethanol?
2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]ethanol has a molecular weight of 259.15 g/mol, XLogP of 2.05, 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)-propan-2-ylamino]ethanol is sourced from PubChem (CID 104777752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).