1-(tert-butylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol

C17H29NO4 — CID 23471032

IUPAC1-(tert-butylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol
SMILESCOCCOCc1ccccc1OCC(O)CNC(C)(C)C
InChIInChI=1S/C17H29NO4/c1-17(2,3)18-11-15(19)13-22-16-8-6-5-7-14(16)12-21-10-9-20-4/h5-8,15,18-19H,9-13H2,1-4H3
InChIKeyGEHAETRLYXMHED-UHFFFAOYSA-N
MW311.42 g/mol
LogP1.98
Rot. Bonds10

About 1-(tert-butylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol

1-(tert-butylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol (PubChem CID 23471032) has the molecular formula C17H29NO4 and a molecular weight of 311.42 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol
PubChem CID23471032
Molecular FormulaC17H29NO4
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Name1-(tert-butylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol
SMILESCOCCOCc1ccccc1OCC(O)CNC(C)(C)C
InChIInChI=1S/C17H29NO4/c1-17(2,3)18-11-15(19)13-22-16-8-6-5-7-14(16)12-21-10-9-20-4/h5-8,15,18-19H,9-13H2,1-4H3
InChIKeyGEHAETRLYXMHED-UHFFFAOYSA-N
XLogP1.98
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 51.98
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

1-[2-(2-methoxyethoxymethyl)phenoxy]-3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-2-ol
CID 23471045
1-[2-(2-methoxyethoxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 23471036
1-(1-hydroxypropan-2-ylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol
CID 23471085
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide
CID 10424650
methyl 2-[3-(tert-butylamino)-2-hydroxypropoxy]benzoate
CID 13040879
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol
CID 23471094
1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 2873516
1-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]anthracene-9,10-dione
CID 97356918
2-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile;hydrochloride
CID 76967522
1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 14029276
2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]ethyl nitrate
CID 13376596

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol (CID 23471032) is 1-(tert-butylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol is COCCOCc1ccccc1OCC(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol?
The InChIKey is GEHAETRLYXMHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4/c1-17(2,3)18-11-15(19)13-22-16-8-6-5-7-14(16)12-21-10-9-20-4/h5-8,15,18-19H,9-13H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol?
1-(tert-butylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol has a molecular weight of 311.42 g/mol, XLogP of 1.98, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 23471032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).