1-(2-aminophenoxy)-3-pentoxypropan-2-ol

C14H23NO3 — CID 62268656

IUPAC1-(2-aminophenoxy)-3-pentoxypropan-2-ol
SMILESCCCCCOCC(O)COc1ccccc1N
InChIInChI=1S/C14H23NO3/c1-2-3-6-9-17-10-12(16)11-18-14-8-5-4-7-13(14)15/h4-5,7-8,12,16H,2-3,6,9-11,15H2,1H3
InChIKeyAWVRXFJTBOFHAC-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.22
Rot. Bonds9

About 1-(2-aminophenoxy)-3-pentoxypropan-2-ol

1-(2-aminophenoxy)-3-pentoxypropan-2-ol (PubChem CID 62268656) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2-aminophenoxy)-3-pentoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-aminophenoxy)-3-pentoxypropan-2-ol
PubChem CID62268656
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(2-aminophenoxy)-3-pentoxypropan-2-ol
SMILESCCCCCOCC(O)COc1ccccc1N
InChIInChI=1S/C14H23NO3/c1-2-3-6-9-17-10-12(16)11-18-14-8-5-4-7-13(14)15/h4-5,7-8,12,16H,2-3,6,9-11,15H2,1H3
InChIKeyAWVRXFJTBOFHAC-UHFFFAOYSA-N
XLogP2.22
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenoxy)-3-hexoxypropan-2-ol
CID 62267422
1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol
CID 62269721
1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
CID 104560220
2-octoxyaniline
CID 14747235
sodium 2-(3-hexoxy-2-hydroxypropoxy)benzoic acid
CID 23618020
1-(3-aminophenoxy)-3-pentoxypropan-2-ol
CID 55055260
(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222
1-octadecoxy-3-pyridin-2-yloxypropan-2-ol
CID 71323407
1-(2-aminophenoxy)-3-(2-fluorophenoxy)propan-2-ol
CID 62269719
1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol
CID 62268837
1-(2,4-dichlorophenoxy)-3-pentoxypropan-2-ol
CID 71384988
1-(2-aminophenoxy)-3-(cyclohexylmethoxy)propan-2-ol
CID 62382373

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenoxy)-3-pentoxypropan-2-ol?
The IUPAC name of 1-(2-aminophenoxy)-3-pentoxypropan-2-ol (CID 62268656) is 1-(2-aminophenoxy)-3-pentoxypropan-2-ol.
What is the SMILES notation for 1-(2-aminophenoxy)-3-pentoxypropan-2-ol?
The canonical SMILES for 1-(2-aminophenoxy)-3-pentoxypropan-2-ol is CCCCCOCC(O)COc1ccccc1N.
What is the InChIKey of 1-(2-aminophenoxy)-3-pentoxypropan-2-ol?
The InChIKey is AWVRXFJTBOFHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-3-6-9-17-10-12(16)11-18-14-8-5-4-7-13(14)15/h4-5,7-8,12,16H,2-3,6,9-11,15H2,1H3.
What are the key properties of 1-(2-aminophenoxy)-3-pentoxypropan-2-ol?
1-(2-aminophenoxy)-3-pentoxypropan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 2.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenoxy)-3-pentoxypropan-2-ol is sourced from PubChem (CID 62268656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).