(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine

C8H19NO3 — CID 104560725

IUPAC(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
SMILESCOCCOCCOC[C@H](C)N
InChIInChI=1S/C8H19NO3/c1-8(9)7-12-6-5-11-4-3-10-2/h8H,3-7,9H2,1-2H3/t8-/m0/s1
InChIKeyIQPSDVKYSOSTPW-QMMMGPOBSA-N
MW177.24 g/mol
LogP0.01
Rot. Bonds8

About (2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine

(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine (PubChem CID 104560725) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is (2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
PubChem CID104560725
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
SMILESCOCCOCCOC[C@H](C)N
InChIInChI=1S/C8H19NO3/c1-8(9)7-12-6-5-11-4-3-10-2/h8H,3-7,9H2,1-2H3/t8-/m0/s1
InChIKeyIQPSDVKYSOSTPW-QMMMGPOBSA-N
XLogP0.01
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[(2R)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine
CID 157049295
(2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
CID 106447202
(2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine
CID 104560995
1-(2-butoxyethoxy)propan-2-amine
CID 43127528
1-[2-(1-aminoethoxy)ethoxy]propan-2-amine
CID 153419048
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-amine
CID 104560569
2-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-1-ol
CID 112704571
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-(2-methoxyethoxy)propan-2-amine;1-phenylethanone
CID 160637935
(3S)-3-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-2-one
CID 59672514

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine?
The IUPAC name of (2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine (CID 104560725) is (2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine.
What is the SMILES notation for (2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine?
The canonical SMILES for (2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine is COCCOCCOC[C@H](C)N.
What is the InChIKey of (2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine?
The InChIKey is IQPSDVKYSOSTPW-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19NO3/c1-8(9)7-12-6-5-11-4-3-10-2/h8H,3-7,9H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine?
(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine has a molecular weight of 177.24 g/mol, XLogP of 0.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine is sourced from PubChem (CID 104560725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).