4-methoxy-2-(2-methoxyethoxy)butan-1-amine

C8H19NO3 — CID 57100761

IUPAC4-methoxy-2-(2-methoxyethoxy)butan-1-amine
SMILESCOCCOC(CN)CCOC
InChIInChI=1S/C8H19NO3/c1-10-4-3-8(7-9)12-6-5-11-2/h8H,3-7,9H2,1-2H3
InChIKeyULXOYSRKRSYYPC-UHFFFAOYSA-N
MW177.24 g/mol
LogP0.01
Rot. Bonds8

About 4-methoxy-2-(2-methoxyethoxy)butan-1-amine

4-methoxy-2-(2-methoxyethoxy)butan-1-amine (PubChem CID 57100761) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is 4-methoxy-2-(2-methoxyethoxy)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-2-(2-methoxyethoxy)butan-1-amine
PubChem CID57100761
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name4-methoxy-2-(2-methoxyethoxy)butan-1-amine
SMILESCOCCOC(CN)CCOC
InChIInChI=1S/C8H19NO3/c1-10-4-3-8(7-9)12-6-5-11-2/h8H,3-7,9H2,1-2H3
InChIKeyULXOYSRKRSYYPC-UHFFFAOYSA-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

1-(2-(2-Aminoethoxy)ethoxy)butane
CID 237344
2-(2-(2-Butoxyethoxy)ethoxy)ethylamine
CID 3020311
(2r)-1-[(2r)-2-(2-Methoxyethoxy)propoxy]propan-2-Amine
CID 91819620
(2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine
CID 155295715
(2~{S})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine
CID 157049299
1-[4-(2-Ethoxy-1-fluoroethoxy)butan-2-yloxy]propan-2-amine
CID 134323585
(2S,4S)-2,3,4-trimethoxypentane-1,5-diamine
CID 91402432
(2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine
CID 102416894
2-Ethoxy-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 63070664
2-Ethoxy-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-amine
CID 66274556
4-(2,2-Difluoroethoxy)-2-ethoxybutan-1-amine
CID 82003827
2-Ethoxy-4-(4,4,4-trifluorobutoxy)butan-1-amine
CID 82788555

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-methoxyethoxy)butan-1-amine?
The IUPAC name of 4-methoxy-2-(2-methoxyethoxy)butan-1-amine (CID 57100761) is 4-methoxy-2-(2-methoxyethoxy)butan-1-amine.
What is the SMILES notation for 4-methoxy-2-(2-methoxyethoxy)butan-1-amine?
The canonical SMILES for 4-methoxy-2-(2-methoxyethoxy)butan-1-amine is COCCOC(CN)CCOC.
What is the InChIKey of 4-methoxy-2-(2-methoxyethoxy)butan-1-amine?
The InChIKey is ULXOYSRKRSYYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3/c1-10-4-3-8(7-9)12-6-5-11-2/h8H,3-7,9H2,1-2H3.
What are the key properties of 4-methoxy-2-(2-methoxyethoxy)butan-1-amine?
4-methoxy-2-(2-methoxyethoxy)butan-1-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 4-methoxy-2-(2-methoxyethoxy)butan-1-amine is sourced from PubChem (CID 57100761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).