4-methoxy-3-(2-propan-2-yloxyethylamino)butan-1-ol

C10H23NO3 — CID 106159775

IUPAC4-methoxy-3-(2-propan-2-yloxyethylamino)butan-1-ol
SMILESCOCC(CCO)NCCOC(C)C
InChIInChI=1S/C10H23NO3/c1-9(2)14-7-5-11-10(4-6-12)8-13-3/h9-12H,4-8H2,1-3H3
InChIKeySQFLISOGSBESMI-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.40
Rot. Bonds9

About 4-methoxy-3-(2-propan-2-yloxyethylamino)butan-1-ol

4-methoxy-3-(2-propan-2-yloxyethylamino)butan-1-ol (PubChem CID 106159775) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-methoxy-3-(2-propan-2-yloxyethylamino)butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-(2-propan-2-yloxyethylamino)butan-1-ol
PubChem CID106159775
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name4-methoxy-3-(2-propan-2-yloxyethylamino)butan-1-ol
SMILESCOCC(CCO)NCCOC(C)C
InChIInChI=1S/C10H23NO3/c1-9(2)14-7-5-11-10(4-6-12)8-13-3/h9-12H,4-8H2,1-3H3
InChIKeySQFLISOGSBESMI-UHFFFAOYSA-N
XLogP0.40
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-3-(2-propan-2-yloxyethylamino)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-3-(3-methylsulfanylpropylamino)butan-1-ol
CID 106156471
4-methoxy-3-(3-methylbut-3-enylamino)butan-1-ol
CID 106159692
1-methoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 60688575
3-(3-ethoxypropylamino)-4-methoxybutan-1-ol
CID 106159789
3-(2-ethylbutylamino)-4-methoxybutan-1-ol
CID 115756936
2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol
CID 115707263
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol
CID 104560529
3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid
CID 103266484
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 106159877
N-(2-propan-2-yloxyethyl)propan-2-amine
CID 21034307
3-methyl-4-(2-propan-2-yloxyethylamino)butan-1-ol
CID 66109201
4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
CID 106159828

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-propan-2-yloxyethylamino)butan-1-ol?
The IUPAC name of 4-methoxy-3-(2-propan-2-yloxyethylamino)butan-1-ol (CID 106159775) is 4-methoxy-3-(2-propan-2-yloxyethylamino)butan-1-ol.
What is the SMILES notation for 4-methoxy-3-(2-propan-2-yloxyethylamino)butan-1-ol?
The canonical SMILES for 4-methoxy-3-(2-propan-2-yloxyethylamino)butan-1-ol is COCC(CCO)NCCOC(C)C.
What is the InChIKey of 4-methoxy-3-(2-propan-2-yloxyethylamino)butan-1-ol?
The InChIKey is SQFLISOGSBESMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-9(2)14-7-5-11-10(4-6-12)8-13-3/h9-12H,4-8H2,1-3H3.
What are the key properties of 4-methoxy-3-(2-propan-2-yloxyethylamino)butan-1-ol?
4-methoxy-3-(2-propan-2-yloxyethylamino)butan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 0.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-propan-2-yloxyethylamino)butan-1-ol is sourced from PubChem (CID 106159775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).