1-(4-aminophenoxy)-3-(3-methoxypropoxy)propan-2-ol

C13H21NO4 — CID 62269701

IUPAC1-(4-aminophenoxy)-3-(3-methoxypropoxy)propan-2-ol
SMILESCOCCCOCC(O)COc1ccc(N)cc1
InChIInChI=1S/C13H21NO4/c1-16-7-2-8-17-9-12(15)10-18-13-5-3-11(14)4-6-13/h3-6,12,15H,2,7-10,14H2,1H3
InChIKeyQKMQWBJSAKGPAK-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.06
Rot. Bonds9

About 1-(4-aminophenoxy)-3-(3-methoxypropoxy)propan-2-ol

1-(4-aminophenoxy)-3-(3-methoxypropoxy)propan-2-ol (PubChem CID 62269701) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(4-aminophenoxy)-3-(3-methoxypropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-aminophenoxy)-3-(3-methoxypropoxy)propan-2-ol
PubChem CID62269701
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-(4-aminophenoxy)-3-(3-methoxypropoxy)propan-2-ol
SMILESCOCCCOCC(O)COc1ccc(N)cc1
InChIInChI=1S/C13H21NO4/c1-16-7-2-8-17-9-12(15)10-18-13-5-3-11(14)4-6-13/h3-6,12,15H,2,7-10,14H2,1H3
InChIKeyQKMQWBJSAKGPAK-UHFFFAOYSA-N
XLogP1.06
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenoxy)-3-(2-cyclopropylethoxy)propan-2-ol
CID 114157270
1-(4-aminophenoxy)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol
CID 115941805
1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol
CID 62269537
(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222
4-[2-hydroxy-3-(2-methoxyethoxy)propoxy]benzonitrile
CID 106990717
1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol
CID 62269697
1-(4-aminophenoxy)-3-(2-pyridin-2-ylethoxy)propan-2-ol
CID 62269338
4-[5-(2-methoxyethoxy)pentoxy]aniline
CID 3026839
CID 22981936
CID 22981936
1-butoxy-3-[4-(1-hydroxypropyl)phenoxy]propan-2-ol
CID 107263390
(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol
CID 51863667
3-methoxypropyl 3-(4-aminophenoxy)propanoate
CID 61310802

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenoxy)-3-(3-methoxypropoxy)propan-2-ol?
The IUPAC name of 1-(4-aminophenoxy)-3-(3-methoxypropoxy)propan-2-ol (CID 62269701) is 1-(4-aminophenoxy)-3-(3-methoxypropoxy)propan-2-ol.
What is the SMILES notation for 1-(4-aminophenoxy)-3-(3-methoxypropoxy)propan-2-ol?
The canonical SMILES for 1-(4-aminophenoxy)-3-(3-methoxypropoxy)propan-2-ol is COCCCOCC(O)COc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenoxy)-3-(3-methoxypropoxy)propan-2-ol?
The InChIKey is QKMQWBJSAKGPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-16-7-2-8-17-9-12(15)10-18-13-5-3-11(14)4-6-13/h3-6,12,15H,2,7-10,14H2,1H3.
What are the key properties of 1-(4-aminophenoxy)-3-(3-methoxypropoxy)propan-2-ol?
1-(4-aminophenoxy)-3-(3-methoxypropoxy)propan-2-ol has a molecular weight of 255.31 g/mol, XLogP of 1.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenoxy)-3-(3-methoxypropoxy)propan-2-ol is sourced from PubChem (CID 62269701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).