(1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol

C12H20N2O3 — CID 114243207

IUPAC(1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol
SMILESC[C@H](O)c1cccnc1N(C)CCOCCO
InChIInChI=1S/C12H20N2O3/c1-10(16)11-4-3-5-13-12(11)14(2)6-8-17-9-7-15/h3-5,10,15-16H,6-9H2,1-2H3/t10-/m0/s1
InChIKeyDFUXEBZHLSMMTF-JTQLQIEISA-N
MW240.30 g/mol
LogP0.58
Rot. Bonds7

About (1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol

(1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol (PubChem CID 114243207) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol
PubChem CID114243207
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol
SMILESC[C@H](O)c1cccnc1N(C)CCOCCO
InChIInChI=1S/C12H20N2O3/c1-10(16)11-4-3-5-13-12(11)14(2)6-8-17-9-7-15/h3-5,10,15-16H,6-9H2,1-2H3/t10-/m0/s1
InChIKeyDFUXEBZHLSMMTF-JTQLQIEISA-N
XLogP0.58
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol
CID 114055963
3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide
CID 114056297
1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol
CID 114056274
1-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]ethanol
CID 175511587
(1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol
CID 114055796
1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol
CID 114055973
N-ethyl-2-[[3-(1-hydroxyethyl)-2-pyridinyl]-methylamino]acetamide
CID 114055927
(1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol
CID 78931201
3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propanenitrile
CID 114055969
(1S)-1-[2-(2-fluoro-N-methylanilino)-3-pyridinyl]ethanol
CID 114056037
(1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanol
CID 114056004
(1S)-1-[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]ethanol
CID 114055895

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol (CID 114243207) is (1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol is C[C@H](O)c1cccnc1N(C)CCOCCO.
What is the InChIKey of (1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol?
The InChIKey is DFUXEBZHLSMMTF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O3/c1-10(16)11-4-3-5-13-12(11)14(2)6-8-17-9-7-15/h3-5,10,15-16H,6-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol?
(1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol has a molecular weight of 240.30 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol is sourced from PubChem (CID 114243207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).