2-[3-[[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]phenoxy]ethanol

C20H27N3O3 — CID 124963457

IUPAC2-[3-[[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]phenoxy]ethanol
SMILESNc1cc(CC[C@H]2CN(Cc3cccc(OCCO)c3)CCO2)ccn1
InChIInChI=1S/C20H27N3O3/c21-20-13-16(6-7-22-20)4-5-19-15-23(8-10-25-19)14-17-2-1-3-18(12-17)26-11-9-24/h1-3,6-7,12-13,19,24H,4-5,8-11,14-15H2,(H2,21,22)/t19-/m0/s1
InChIKeyHQIXEXPAULPNAU-IBGZPJMESA-N
MW357.45 g/mol
LogP1.87
Rot. Bonds8

About 2-[3-[[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]phenoxy]ethanol

2-[3-[[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]phenoxy]ethanol (PubChem CID 124963457) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-[3-[[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-[[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]phenoxy]ethanol
PubChem CID124963457
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2-[3-[[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]phenoxy]ethanol
SMILESNc1cc(CC[C@H]2CN(Cc3cccc(OCCO)c3)CCO2)ccn1
InChIInChI=1S/C20H27N3O3/c21-20-13-16(6-7-22-20)4-5-19-15-23(8-10-25-19)14-17-2-1-3-18(12-17)26-11-9-24/h1-3,6-7,12-13,19,24H,4-5,8-11,14-15H2,(H2,21,22)/t19-/m0/s1
InChIKeyHQIXEXPAULPNAU-IBGZPJMESA-N
XLogP1.87
TPSA80.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]phenoxy]ethanol with MolForge

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Related Compounds

3-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid
CID 110113863
4-[2-[(2S)-4-(2-phenoxyethyl)morpholin-2-yl]ethyl]pyridin-2-amine
CID 125022970
4-[2-[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]pyridin-2-amine
CID 124965523
4-[2-[4-[(3-fluoro-2-pyridinyl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine
CID 110113890
1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenoxypropan-1-one
CID 110113973
2-[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-N,N-dimethylacetamide
CID 124957231
4-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine
CID 110113875
N,N-dimethyl-4-[2-[(2S)-4-(pyridin-3-ylmethyl)morpholin-2-yl]ethyl]pyridin-2-amine
CID 125001767
1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-fluorophenoxy)ethanone
CID 125021853
1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 110113956
4-[2-[4-(6-methyl-2-pyridinyl)morpholin-2-yl]ethyl]pyridin-2-amine
CID 110113915
4-[2-(4-cyclohexylsulfonylmorpholin-2-yl)ethyl]pyridin-2-amine
CID 110113962

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[3-[[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]phenoxy]ethanol (CID 124963457) is 2-[3-[[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[3-[[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[3-[[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]phenoxy]ethanol is Nc1cc(CC[C@H]2CN(Cc3cccc(OCCO)c3)CCO2)ccn1.
What is the InChIKey of 2-[3-[[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]phenoxy]ethanol?
The InChIKey is HQIXEXPAULPNAU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H27N3O3/c21-20-13-16(6-7-22-20)4-5-19-15-23(8-10-25-19)14-17-2-1-3-18(12-17)26-11-9-24/h1-3,6-7,12-13,19,24H,4-5,8-11,14-15H2,(H2,21,22)/t19-/m0/s1.
What are the key properties of 2-[3-[[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]phenoxy]ethanol?
2-[3-[[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]phenoxy]ethanol has a molecular weight of 357.45 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 124963457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).